Glycine hydrochloride

Introduction

CAS No. :	6000-43-7	MDL No. :	MFCD00012872
Formula :	C2H6ClNO2	Boiling Point :	No data available
Linear Structure Formula :	H2NCH2COOH·HCl	InChI Key :	IVLXQGJVBGMLRR-UHFFFAOYSA-N
M.W :	111.53	Pubchem ID :	22316
Synonyms :		Chemical Name :	Glycine hydrochloride

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	23.17
TPSA :	63.32 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) :	-8.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.41
Log Po/w (WLOGP) :	-0.17
Log Po/w (MLOGP) :	-3.06
Log Po/w (SILICOS-IT) :	-1.04
Consensus Log Po/w :	-1.34

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.05
Solubility :	1260.0 mg/ml ; 11.3 mol/l
Class :	Highly soluble
Log S (Ali) :	1.62
Solubility :	4650.0 mg/ml ; 41.7 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.83
Solubility :	757.0 mg/ml ; 6.79 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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