Compound Information
Helptop of page
CID 6371475
Create Date: 2005-09-09
Deprecated compound

No substance information
Properties and Descriptors
Helptop of page
Properties
Molecular Weight 455.89088 [g/mol]
Molecular FormulaC23H22ClN3O5+2
XLogP3-AA2.5
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count1
Exact Mass455.124798
MonoIsotopic Mass455.124798
Topological Polar Surface Area97.8
Heavy Atom Count32
Formal Charge2
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count4
Feature 3D Donor Count1
Feature 3D Ring Count5
Effective Rotor Count1.8
Conformer Sampling RMSD0.6
CID Conformer Count29
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES