7H-Dibenzo[c,g]carbazole

Introduction

CAS No. :	194-59-2	MDL No. :	MFCD00215941
Formula :	C20H13N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	STJXCDGCXVZHDU-UHFFFAOYSA-N
M.W :	267.32	Pubchem ID :	9134
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	21
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	90.82
TPSA :	15.79 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.5
Log Po/w (XLOGP3) :	5.89
Log Po/w (WLOGP) :	5.63
Log Po/w (MLOGP) :	4.44
Log Po/w (SILICOS-IT) :	5.6
Consensus Log Po/w :	4.81

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.95
Solubility :	0.000301 mg/ml ; 0.00000113 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.99
Solubility :	0.000271 mg/ml ; 0.00000101 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.31
Solubility :	0.00000131 mg/ml ; 0.0000000049 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.42

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335-H351-H361	Packing Group:
GHS Pictogram:

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