2-(Aminooxy)ethanol

Introduction

CAS No. :	3279-95-6	MDL No. :	MFCD00517034
Formula :	C2H7NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WWWTWPXKLJTKPM-UHFFFAOYSA-N
M.W :	77.08	Pubchem ID :	3014186
Synonyms :

Physicochemical Properties

Num. heavy atoms :	5
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	16.68
TPSA :	55.48 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) :	-7.73 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.57
Log Po/w (XLOGP3) :	-1.35
Log Po/w (WLOGP) :	-1.13
Log Po/w (MLOGP) :	-1.22
Log Po/w (SILICOS-IT) :	-1.05
Consensus Log Po/w :	-0.84

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.66
Solubility :	356.0 mg/ml ; 4.62 mol/l
Class :	Highly soluble
Log S (Ali) :	0.68
Solubility :	373.0 mg/ml ; 4.84 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.63
Solubility :	329.0 mg/ml ; 4.27 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.04

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P403+P235	UN#:	1993
Hazard Statements:	H225	Packing Group:	Ⅲ
GHS Pictogram:

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