Potassium hexacyanocobaltate(III)

Introduction

CAS No. :	13963-58-1	MDL No. :	MFCD00011391
Formula :	C6CoK3N6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	332.33	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	33.68
TPSA :	142.74 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) :	-8.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.4
Log Po/w (WLOGP) :	0.1
Log Po/w (MLOGP) :	-3.38
Log Po/w (SILICOS-IT) :	-1.8
Consensus Log Po/w :	-0.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.15
Solubility :	2.34 mg/ml ; 0.00704 mol/l
Class :	Soluble
Log S (Ali) :	-2.96
Solubility :	0.361 mg/ml ; 0.00109 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.62
Solubility :	79.4 mg/ml ; 0.239 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.81

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P201-P202-P281-P308+P313-P405-P501	UN#:	N/A
Hazard Statements:	H351	Packing Group:	N/A
GHS Pictogram:

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