Morpholin-2-ol hydrochloride

Introduction

CAS No. :	79323-24-3	MDL No. :	MFCD14708235
Formula :	C4H10ClNO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BNTZPYZTYZBPSC-UHFFFAOYSA-N
M.W :	139.58	Pubchem ID :	12751542
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	35.16
TPSA :	41.49 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) :	-7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-0.3
Log Po/w (WLOGP) :	-0.65
Log Po/w (MLOGP) :	-0.64
Log Po/w (SILICOS-IT) :	0.25
Consensus Log Po/w :	-0.27

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.52
Solubility :	42.5 mg/ml ; 0.305 mol/l
Class :	Very soluble
Log S (Ali) :	-0.11
Solubility :	108.0 mg/ml ; 0.774 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.1
Solubility :	175.0 mg/ml ; 1.25 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.27

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

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