C42H39n3o8 net tawiisd

Basisynformaasje:

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Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	713.78	-
Tichtheid (foarsizze)	1.315 ± 0,06 G / CM3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	8.23 ± 0.10	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes o = c1nc (= o) n (c = c1c (= ccc2 = cc = cc = cc = cc = c = c = c = c = c = c (cv = c (oc) c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c =
Isomeryske glimkes
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C(=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
Inchi
Inchi = 1s / c42h31n3o8 / c1-50-32-19-15-30 (16-20-32) 42 (16-12-3-3-5-13-23.31-17-21-33 (51-2-13-31) 52-26-31) 52-26-31) 52-26-37) 52-26-37) 52-26-37) 52-26-37) 52-26-37) 52-26-37) 52-26-37) 4 5-25-35 (40 (48) 44-41 (45) 49) 39) 39 (47) 43-24-28-11-8-10-24-96-8-14-34 (27) 28-60,47) (h, 44,48,49) / h, 44,48,49) / h, 44,48,49) / T, 44.48,49) / T, 44,48,49) /
Inchi-kaai
Hdumrqqryjobf-yxwiycfasa-n

Foarsichtich eigenskippen

Eigenskippen beskikber

Biologysk

Eigenskippen beskikber

Gemysk

Densheid

Lipinski

Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	41700	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	41700	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	41700	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	41700	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	41700	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	41200	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	36900	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	18100	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	3290	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	718	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	70600	pH 1; Temp: 25 ° C	(1) ACD
Koc	70600	pH 2; Temp: 25 ° C	(1) ACD
Koc	70600	pH 3; Temp: 25 ° C	(1) ACD
Koc	70600	pH 4; Temp: 25 ° C	(1) ACD
Koc	70500	pH 5; Temp: 25 ° C	(1) ACD
Koc	69700	pH 6; Temp: 25 ° C	(1) ACD
Koc	62400	pH 7; Temp: 25 ° C	(1) ACD
Koc	30600	pH 8; Temp: 25 ° C	(1) ACD
Koc	5560	pH 9; Temp: 25 ° C	(1) ACD
Koc	1210	pH 10; Temp: 25 ° C	(1) ACD
Logd	6.38	pH 1; Temp: 25 ° C	(1) ACD
Logd	6.38	pH 2; Temp: 25 ° C	(1) ACD
Logd	6.38	pH 3; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Logd	6.38	pH 4; Temp: 25 ° C	(1) ACD
Logd	6.38	pH 5; Temp: 25 ° C	(1) ACD
Logd	6.38	pH 6; Temp: 25 ° C	(1) ACD
Logd	6.33	pH 7; Temp: 25 ° C	(1) ACD
Logd	6.02	pH 8; Temp: 25 ° C	(1) ACD
Logd	5.28	pH 9; Temp: 25 ° C	(1) ACD
Logd	4.62	pH 10; Temp: 25 ° C	(1) ACD
Logp	6.382 ± 0.644	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	5.1 x 10-7 g / L	Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5.1 x 10-7 g / L	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5,7 x 10-7 g / L	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.1 X 10-6 G / L	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	6.4 x 10-6 g / L	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	2,9 x 10-5 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	5,7 x 10-7 g / L	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	7.1 x 10-10 mol / L	Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.1 x 10-10 mol / L	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.1 x 10-10 mol / L	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.1 x 10-10 mol / L	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.1 x 10-10 mol / L	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.1 x 10-10 mol / L	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	7.2 x 10-10 mol / L	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	8.0 x 10-10 mol / L	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.6 x 10-9 Mol / L	pH 8; Temp: 25 ° C	(1) ACD
Milarlabiliteit	9,0 x 10-9 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	4.1 x 10-8 Mol / L	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	8.0 x 10-10 mol / L	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Molekulêr gewicht	713.78
pka	8.23 ± 0.10	Meast Acidic Temp: 25 ° C	(1) ACD
pka	-1,90 ± 0.20	Meast basic temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.315 ± 0,06 G / CM3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	542,7 ± 3.0 cm3 / Mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	13		(1) ACD
H akseptearders	11		(1) ACD
H Donors	3		(1) ACD
H Donor / akseptearje SUM	14		(1) ACD
Logp	6.382 ± 0.644	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	713.78