CID 25328650
PubChem CID
25328650
Structure
Molecular Formula
Status
Non-live
Molecular Weight
307.34 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
(3R)-3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]oxolan-2-one
InChI=1S/C16H19FN2O3/c1-11(20)12-2-3-14(13(17)10-12)18-5-7-19(8-6-18)15-4-9-22-16(15)21/h2-3,10,15H,4-9H2,1H3/p+1/t15-/m1/s1
VEYRHOCDCJEOGN-OAHLLOKOSA-O
CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)[C@@H]3CCOC3=O)F
C16H20FN2O3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
307.34 g/mol
Property Name
XLogP3-AA
Property Value
1.7
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
3
Property Name
Exact Mass
Property Value
307.14579567 g/mol
Property Name
Monoisotopic Mass
Property Value
307.14579567 g/mol
Property Name
Topological Polar Surface Area
Property Value
51.1 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
437
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS