Sodium Bis(trifluoromethanesulfonyl)imide

Introduction

CAS No. :	91742-21-1	MDL No. :	MFCD14156021
Formula :	C2F6NNaO4S2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YLKTWKVVQDCJFL-UHFFFAOYSA-N
M.W :	303.14	Pubchem ID :	11077530
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	11.0
Num. H-bond donors :	0.0
Molar Refractivity :	33.4
TPSA :	85.04 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.32
Log Po/w (WLOGP) :	5.74
Log Po/w (MLOGP) :	0.07
Log Po/w (SILICOS-IT) :	1.73
Consensus Log Po/w :	1.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.29
Solubility :	1.57 mg/ml ; 0.00516 mol/l
Class :	Soluble
Log S (Ali) :	-2.71
Solubility :	0.595 mg/ml ; 0.00196 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.55
Solubility :	8.48 mg/ml ; 0.028 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.8

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3261
Hazard Statements:	H314	Packing Group:	Ⅲ
GHS Pictogram:

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