Bis(hexafluoroacetylacetonato)cobalt(II) Hydrate

Introduction

CAS No. :	19648-83-0	MDL No. :	MFCD00042510
Formula :	-	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	-	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	4
Num. H-bond acceptors :	16.0
Num. H-bond donors :	0.0
Molar Refractivity :	52.85
TPSA :	68.28 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 :	Yes
Log Kp (skin permeation) :	-6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	4.43
Log Po/w (WLOGP) :	7.95
Log Po/w (MLOGP) :	0.96
Log Po/w (SILICOS-IT) :	-0.21
Consensus Log Po/w :	2.63

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.3
Solubility :	0.00237 mg/ml ; 0.00000502 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.58
Solubility :	0.00124 mg/ml ; 0.00000262 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.31
Solubility :	0.00233 mg/ml ; 0.00000493 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.33

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P261-P202-P201-P280-P272-P308+P313-P302+P352-P333+P313-P363-P405	UN#:	N/A
Hazard Statements:	H317-H351	Packing Group:	N/A
GHS Pictogram:

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