(3-endo)-8-Azabicyclo[3.2.1]octan-3-ol

Introduction

CAS No. :	538-09-0	MDL No. :	MFCD00047140
Formula :	C7H13NO	Boiling Point :	-
Linear Structure Formula :	(CH2)4CHOHCHCHNH	InChI Key :	-
M.W :	127.18	Pubchem ID :	-
Synonyms :	Nortropenol	Chemical Name :	(3-endo)-8-Azabicyclo[3.2.1]octan-3-ol

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	39.41
TPSA :	32.26 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.59
Log Po/w (XLOGP3) :	0.29
Log Po/w (WLOGP) :	-0.12
Log Po/w (MLOGP) :	0.57
Log Po/w (SILICOS-IT) :	0.78
Consensus Log Po/w :	0.62

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.81
Solubility :	19.6 mg/ml ; 0.154 mol/l
Class :	Very soluble
Log S (Ali) :	-0.53
Solubility :	37.6 mg/ml ; 0.295 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.56
Solubility :	34.8 mg/ml ; 0.274 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.95

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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