Nortropinone hydrochloride

Introduction

CAS No. :	25602-68-0	MDL No. :	MFCD03613582
Formula :	C7H12ClNO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MZQWQFWRSDNBPV-UHFFFAOYSA-N
M.W :	161.63	Pubchem ID :	13091218
Synonyms :	Nortropinone hydrochloride	Chemical Name :	Nortropinone hydrochloride

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	45.42
TPSA :	29.1 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.67
Log Po/w (WLOGP) :	0.89
Log Po/w (MLOGP) :	0.76
Log Po/w (SILICOS-IT) :	1.37
Consensus Log Po/w :	0.74

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.26
Solubility :	8.8 mg/ml ; 0.0544 mol/l
Class :	Very soluble
Log S (Ali) :	-0.86
Solubility :	22.4 mg/ml ; 0.139 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.25
Solubility :	8.99 mg/ml ; 0.0556 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.77

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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