1-decyl-3-methylimidazolium hexafluorophosphate

Introduction

CAS No. :	362043-46-7	MDL No. :	MFCD12022377
Formula :	C14H27F6N2P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OXZSRXCEZNETER-UHFFFAOYSA-N
M.W :	368.34	Pubchem ID :	10044526
Synonyms :

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.79
Num. rotatable bonds :	9
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	86.12
TPSA :	22.4 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-3.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.8
Log Po/w (WLOGP) :	9.36
Log Po/w (MLOGP) :	3.48
Log Po/w (SILICOS-IT) :	3.16
Consensus Log Po/w :	4.76

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.6
Solubility :	0.0000916 mg/ml ; 0.000000249 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.12
Solubility :	0.00000282 mg/ml ; 0.0000000077 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-4.01
Solubility :	0.0357 mg/ml ; 0.0000971 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	2.62

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H312-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine