Zinc bis(trifluoromethylsulfonyl)imide

Introduction

CAS No. :	168106-25-0	MDL No. :	MFCD16621474
Formula :	C4F12N2O8S4Zn	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	625.70	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	22.0
Num. H-bond donors :	0.0
Molar Refractivity :	71.58
TPSA :	170.08 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) :	-7.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.37
Log Po/w (WLOGP) :	10.72
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	-3.73
Consensus Log Po/w :	2.14

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	2.0
Muegge :	4.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.58
Solubility :	0.00165 mg/ml ; 0.00000264 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.62
Solubility :	0.00015 mg/ml ; 0.00000024 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-3.71
Solubility :	0.121 mg/ml ; 0.000193 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	5.98

Signal Word:	Danger	Class:	8
Precautionary Statements:	P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310	UN#:	1759
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

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