(4-Iodophenyl)hydrazine hydrochloride

Introduction

CAS No. :	62830-55-1	MDL No. :	MFCD00060724
Formula :	C6H8ClIN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PBGQZFXOUDOZCB-UHFFFAOYSA-N
M.W :	270.50	Pubchem ID :	12208795
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
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 :	53.33
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) :	-5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.06
Log Po/w (WLOGP) :	2.19
Log Po/w (MLOGP) :	2.61
Log Po/w (SILICOS-IT) :	1.33
Consensus Log Po/w :	1.84

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.82
Solubility :	0.0407 mg/ml ; 0.00015 mol/l
Class :	Soluble
Log S (Ali) :	-3.53
Solubility :	0.0806 mg/ml ; 0.000298 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.05
Solubility :	0.243 mg/ml ; 0.000897 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.23

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

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