CID 28242362
PubChem CID
28242362
Structure
Molecular Formula
Status
Non-live
Molecular Weight
296.31 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
6-methyl-4-piperazin-4-ium-1-yl-2-(trifluoromethyl)quinoline
InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3/p+1
ZKHOZLXKYFBVMY-UHFFFAOYSA-O
CC1=CC2=C(C=C1)N=C(C=C2N3CC[NH2+]CC3)C(F)(F)F
C15H17F3N3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.31 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
296.13745704 g/mol
Property Name
Monoisotopic Mass
Property Value
296.13745704 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.7 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
355
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS