N-Cyclohexylhydroxylamine

Introduction

CAS No. :	2211-64-5	MDL No. :	MFCD00021287
Formula :	C6H13NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GUQRKZPMVLRXLT-UHFFFAOYSA-N
M.W :	115.17	Pubchem ID :	72935
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	32.37
TPSA :	32.26 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) :	-6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.7
Log Po/w (XLOGP3) :	1.12
Log Po/w (WLOGP) :	1.3
Log Po/w (MLOGP) :	1.03
Log Po/w (SILICOS-IT) :	0.74
Consensus Log Po/w :	1.18

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.19
Solubility :	7.37 mg/ml ; 0.064 mol/l
Class :	Very soluble
Log S (Ali) :	-1.39
Solubility :	4.68 mg/ml ; 0.0407 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.74
Solubility :	21.1 mg/ml ; 0.183 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.68

Signal Word:	Danger	Class:	8,6.1
Precautionary Statements:	P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501	UN#:	2923
Hazard Statements:	H301-H318	Packing Group:	Ⅲ
GHS Pictogram:

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