2-Methoxyphenylhydrazine Hydrochloride

Introduction

CAS No. :	6971-45-5	MDL No. :	MFCD00035456
Formula :	C7H11ClN2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HECSHXUNOVTAIJ-UHFFFAOYSA-N
M.W :	174.63	Pubchem ID :	2849445
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.99
TPSA :	47.28 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-3.89
Log Po/w (XLOGP3) :	2.24
Log Po/w (WLOGP) :	1.48
Log Po/w (MLOGP) :	1.41
Log Po/w (SILICOS-IT) :	0.32
Consensus Log Po/w :	0.31

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.6
Solubility :	0.437 mg/ml ; 0.00252 mol/l
Class :	Soluble
Log S (Ali) :	-2.87
Solubility :	0.235 mg/ml ; 0.00135 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.19
Solubility :	1.13 mg/ml ; 0.00649 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.45

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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