3,4-Dichlorophenylhydrazine hydrochloride

Introduction

CAS No. :	19763-90-7	MDL No. :	MFCD00012937
Formula :	C6H7Cl3N2	Boiling Point :	-
Linear Structure Formula :	C6H3(Cl)2NHNH2·HCl	InChI Key :	WIKZRYSGQPZTMM-UHFFFAOYSA-N
M.W :	213.49	Pubchem ID :	3084323
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	50.63
TPSA :	38.05 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) :	-5.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.43
Log Po/w (WLOGP) :	2.89
Log Po/w (MLOGP) :	2.88
Log Po/w (SILICOS-IT) :	1.64
Consensus Log Po/w :	2.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.66
Solubility :	0.0465 mg/ml ; 0.000218 mol/l
Class :	Soluble
Log S (Ali) :	-3.91
Solubility :	0.0263 mg/ml ; 0.000123 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.32
Solubility :	0.102 mg/ml ; 0.00048 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.74

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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