Bis(acetylacetone)copper

Introduction

CAS No. :	13395-16-9	MDL No. :	MFCD00000016
Formula :	C10H14CuO4	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	261.76	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.1
TPSA :	68.28 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-33.0
Log Po/w (XLOGP3) :	0.2
Log Po/w (WLOGP) :	1.11
Log Po/w (MLOGP) :	-0.26
Log Po/w (SILICOS-IT) :	0.68
Consensus Log Po/w :	-6.26

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.34
Solubility :	12.1 mg/ml ; 0.046 mol/l
Class :	Very soluble
Log S (Ali) :	-1.19
Solubility :	16.9 mg/ml ; 0.0642 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.88
Solubility :	34.9 mg/ml ; 0.132 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.2

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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