Molecular Weight:229.21146 [g/mol]
Molecular Formula:C12H9N2O3-
XLogP3-AA:1.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:5
Exact Mass:229.061317
MonoIsotopic Mass:229.061317
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Formal Charge:-1
Complexity:399
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.6
CID Conformer Count:1