Molecular Weight:220.26434 [g/mol]
Molecular Formula:C13H16O3
XLogP3-AA:2.5
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:220.109944
MonoIsotopic Mass:220.109944
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Formal Charge:0
Complexity:252
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:16