Manganese bis(trifluoromethanesulfonate)

Introduction

CAS No. :	55120-76-8	MDL No. :	MFCD17015267
Formula :	C2F6MnO6S2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HEYNLDRKZOOEDN-UHFFFAOYSA-L
M.W :	353.08	Pubchem ID :	15436487
Synonyms :

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	12.0
Num. H-bond donors :	0.0
Molar Refractivity :	31.41
TPSA :	119.18 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 :	No
Log Kp (skin permeation) :	-7.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.69
Log Po/w (WLOGP) :	5.32
Log Po/w (MLOGP) :	-0.34
Log Po/w (SILICOS-IT) :	1.02
Consensus Log Po/w :	1.54

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.7
Solubility :	0.708 mg/ml ; 0.00201 mol/l
Class :	Soluble
Log S (Ali) :	-3.81
Solubility :	0.055 mg/ml ; 0.000156 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.13
Solubility :	26.0 mg/ml ; 0.0736 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.34

Signal Word:	Danger	Class:	8
Precautionary Statements:	P261-P280-P305+P351+P338-P310	UN#:	3261
Hazard Statements:	H302-H314	Packing Group:	Ⅱ
GHS Pictogram:

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