o-Tolylhydrazine hydrochloride

Introduction

CAS No. :	635-26-7	MDL No. :	MFCD00012925
Formula :	C7H11ClN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	KJGFNDCSTWGUDT-UHFFFAOYSA-N
M.W :	158.63	Pubchem ID :	71554
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	44.47
TPSA :	38.05 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.21
Log Po/w (WLOGP) :	-1.79
Log Po/w (MLOGP) :	2.02
Log Po/w (SILICOS-IT) :	0.81
Consensus Log Po/w :	0.65

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.59
Solubility :	0.404 mg/ml ; 0.00255 mol/l
Class :	Soluble
Log S (Ali) :	-2.64
Solubility :	0.36 mg/ml ; 0.00227 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.43
Solubility :	0.589 mg/ml ; 0.00372 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.01

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302+H312+H332-H315-H319-H335	Packing Group:
GHS Pictogram:

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