CID 28334800
PubChem CID
28334800
Structure
Molecular Formula
Status
Non-live
Molecular Weight
223.27 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3-fluorophenyl)-(2-oxo-2-pyrrolidin-1-ylethyl)azanium
InChI=1S/C12H15FN2O/c13-10-4-3-5-11(8-10)14-9-12(16)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,9H2/p+1
BDLCZVNXMYRMFX-UHFFFAOYSA-O
C1CCN(C1)C(=O)C[NH2+]C2=CC(=CC=C2)F
C12H16FN2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
223.27 g/mol
Property Name
XLogP3-AA
Property Value
2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
223.12466630 g/mol
Property Name
Monoisotopic Mass
Property Value
223.12466630 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.9 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
241
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
CONTENTS