trans-4-Morpholinocyclohexanol

Introduction

CAS No. :	1228947-14-5	MDL No. :	MFCD20259655
Formula :	C10H19NO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	AIFIVCWONKRRJQ-UHFFFAOYSA-N
M.W :	185.26	Pubchem ID :	58205557
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	55.01
TPSA :	32.7 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) :	-7.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.25
Log Po/w (XLOGP3) :	0.2
Log Po/w (WLOGP) :	0.24
Log Po/w (MLOGP) :	0.64
Log Po/w (SILICOS-IT) :	1.17
Consensus Log Po/w :	0.9

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.05
Solubility :	16.6 mg/ml ; 0.0894 mol/l
Class :	Very soluble
Log S (Ali) :	-0.45
Solubility :	66.4 mg/ml ; 0.359 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.7
Solubility :	37.1 mg/ml ; 0.2 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.55

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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