CID 28820609
PubChem CID
28820609
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-piperazin-4-ium-1-yl-6-(trifluoromethyl)quinolin-1-ium
InChI=1S/C14H14F3N3/c15-14(16,17)10-1-2-12-11(9-10)13(3-4-19-12)20-7-5-18-6-8-20/h1-4,9,18H,5-8H2/p+2
GKNZANBBZMCLOB-UHFFFAOYSA-P
C1CN(CC[NH2+]1)C2=C3C=C(C=CC3=[NH+]C=C2)C(F)(F)F
C14H16F3N3+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.29 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
283.12963201 g/mol
Property Name
Monoisotopic Mass
Property Value
283.12963201 g/mol
Property Name
Topological Polar Surface Area
Property Value
34 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
328
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