1-Ethyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate(V)

Introduction

CAS No. :	155371-19-0	MDL No. :	MFCD00216703
Formula :	C6H11F6N2P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DPDAKOVGQUGTHH-UHFFFAOYSA-N
M.W :	256.13	Pubchem ID :	2758873
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.66
TPSA :	22.4 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.66
Log Po/w (WLOGP) :	6.24
Log Po/w (MLOGP) :	1.32
Log Po/w (SILICOS-IT) :	0.26
Consensus Log Po/w :	2.3

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.91
Solubility :	0.0312 mg/ml ; 0.000122 mol/l
Class :	Soluble
Log S (Ali) :	-3.82
Solubility :	0.0388 mg/ml ; 0.000152 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-0.71
Solubility :	50.4 mg/ml ; 0.197 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.75

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H315-H319	Packing Group:
GHS Pictogram:

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