Copper(II) acetate

Introduction

CAS No. :	142-71-2	MDL No. :	MFCD00008690
Formula :	C4H6CuO4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OPQARKPSCNTWTJ-UHFFFAOYSA-L
M.W :	181.63	Pubchem ID :	8895
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.5
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	23.11
TPSA :	80.26 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-49.15
Log Po/w (XLOGP3) :	-0.42
Log Po/w (WLOGP) :	-2.49
Log Po/w (MLOGP) :	-0.54
Log Po/w (SILICOS-IT) :	-0.48
Consensus Log Po/w :	-10.62

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.7
Solubility :	36.1 mg/ml ; 0.199 mol/l
Class :	Very soluble
Log S (Ali) :	-0.8
Solubility :	28.7 mg/ml ; 0.158 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.53
Solubility :	621.0 mg/ml ; 3.42 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P264-P270-P273-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P391-P405-P501	UN#:	1759
Hazard Statements:	H302-H314-H400-H411	Packing Group:	Ⅱ
GHS Pictogram:

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