Compound Summary (CID 1375862) |
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  Compound Information CID 1375862 Create Date: 2005-07-11 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 365.38256 [g/mol] | | Molecular Formula | | C20H19N3O4 | | XLogP3-AA | | 3.5 | | H-Bond Donor | | 3 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 5 | | | | | Exact Mass | | 365.137556 | | MonoIsotopic Mass | | 365.137556 | | Topological Polar Surface Area | | 113 | | Heavy Atom Count | | 27 | | Formal Charge | | 0 | | Complexity | | 645 | | 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 Donor Count | | 3 | | Feature 3D Anion Count | | 1 | | Feature 3D Cation Count | | 1 | | Feature 3D Hydrophobe Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 6 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 59 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 1701451, Version: 1, Same
SID 1701451, Version: 2, Same
SID 3310861, Version: 1, Same
SID 3310861, Version: 2, Same
SID 3944469, Version: 1, Same
SID 25665419, Version: 1, Same
SID 25665419, Version: 2, Same
SID 25665419, Version: 3, Same
SID 71940314, Version: 1, Mixture
SID 88774130, Version: 1, Same
SID 99819854, Version: 1, Same
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