(Tetrahydro-2H-pyran-4-yl)hydrazine hydrochloride

Introduction

CAS No. :	194543-22-1	MDL No. :	MFCD09744677
Formula :	C5H13ClN2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CYCWBZMKKCTOGR-UHFFFAOYSA-N
M.W :	152.62	Pubchem ID :	17773358
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	37.59
TPSA :	47.28 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 :	Yes
Log Kp (skin permeation) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.26
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	0.15
Log Po/w (SILICOS-IT) :	-0.03
Consensus Log Po/w :	0.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.88
Solubility :	19.9 mg/ml ; 0.131 mol/l
Class :	Very soluble
Log S (Ali) :	-0.81
Solubility :	23.4 mg/ml ; 0.154 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.42
Solubility :	58.6 mg/ml ; 0.384 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.86

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H319	Packing Group:
GHS Pictogram:

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