Nickel(Ⅱ) acetate tetrahydrate

Introduction

CAS No. :	6018-89-9	MDL No. :	MFCD00066973
Formula :	C4H14NiO8	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	OINIXPNQKAZCRL-UHFFFAOYSA-L
M.W :	248.84	Pubchem ID :	62601
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	8.0
Num. H-bond donors :	4.0
Molar Refractivity :	35.31
TPSA :	117.18 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) :	-9.47 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.32
Log Po/w (WLOGP) :	-2.74
Log Po/w (MLOGP) :	-3.77
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-1.86

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.08
Solubility :	298.0 mg/ml ; 1.2 mol/l
Class :	Highly soluble
Log S (Ali) :	0.4
Solubility :	619.0 mg/ml ; 2.49 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.53
Solubility :	851.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.39

Signal Word:	Danger	Class:	9
Precautionary Statements:	P201-P260-P273-P280-P304+P340+P312-P308+P313-P391	UN#:	3077
Hazard Statements:	H302+H332-H317-H334-H341-H350-H360-H372-H410	Packing Group:	Ⅲ
GHS Pictogram:

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