14384-34-0 2,3,4,9-Tetrahydro-1H-carbazol-3-ol

Introduction

CAS No. :	14384-34-0	MDL No. :	MFCD01924666
Formula :	C12H13NO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	COPGJLUCUMWXTH-UHFFFAOYSA-N
M.W :	187.24	Pubchem ID :	11571928
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.33
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	56.89
TPSA :	36.02 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.85
Log Po/w (XLOGP3) :	2.12
Log Po/w (WLOGP) :	2.02
Log Po/w (MLOGP) :	1.84
Log Po/w (SILICOS-IT) :	3.02
Consensus Log Po/w :	2.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.81
Solubility :	0.289 mg/ml ; 0.00154 mol/l
Class :	Soluble
Log S (Ali) :	-2.51
Solubility :	0.582 mg/ml ; 0.00311 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.59
Solubility :	0.0483 mg/ml ; 0.000258 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.53

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

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