9H,9'H-3,3'-Bicarbazole

Introduction

CAS No. :	1984-49-2	MDL No. :	MFCD11046470
Formula :	C24H16N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PUMOFXXLEABBTC-UHFFFAOYSA-N
M.W :	332.40	Pubchem ID :	12462601
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	26
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	110.6
TPSA :	31.58 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) :	-3.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.68
Log Po/w (XLOGP3) :	6.48
Log Po/w (WLOGP) :	6.62
Log Po/w (MLOGP) :	4.75
Log Po/w (SILICOS-IT) :	6.63
Consensus Log Po/w :	5.43

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.66
Solubility :	0.0000732 mg/ml ; 0.00000022 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.94
Solubility :	0.0000383 mg/ml ; 0.000000115 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.01
Solubility :	0.0000000326 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.03

Signal Word:	Warning	Class:
Precautionary Statements:	P280	UN#:
Hazard Statements:	H302-H317	Packing Group:
GHS Pictogram:

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