Compound Summary (CID 55197) |
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  Compound Information CID 55197 Create Date: 2005-08-08 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 308.33124 [g/mol] | | Molecular Formula | | C18H16N2O3 | | XLogP3-AA | | 3.3 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 4 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 308.116092 | | MonoIsotopic Mass | | 308.116092 | | Topological Polar Surface Area | | 60.8 | | Heavy Atom Count | | 23 | | Formal Charge | | 0 | | Complexity | | 522 | | 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 | | 2 | | Feature 3D Donor Count | | 1 | | Feature 3D Anion Count | | 1 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 3 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 16 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 192671, Version: 1, Same
SID 192671, Version: 2, Same
SID 192671, Version: 3, Same
SID 24724525, Version: 1, Same
SID 24724525, Version: 2, Same
SID 47207417, Version: 1, Same
SID 47207417, Version: 2, Same
SID 47207417, Version: 3, Same
SID 47207417, Version: 4, Same
SID 53787865, Version: 1, Same
SID 53787865, Version: 2, Same
SID 53787865, Version: 3, Same
SID 53787865, Version: 4, Same
SID 53787865, Version: 5, Same
SID 53787865, Version: 6, Same
SID 53787865, Version: 7, Same
SID 53787865, Version: 8, Same
SID 53787865, Version: 9, Same
SID 53787865, Version: 10, Same
SID 53787865, Version: 11, Same
SID 53787865, Version: 12, Same
SID 53787865, Version: 13, Same
SID 53787865, Version: 14, Same
SID 53787865, Version: 15, Same
SID 53787865, Version: 16, Same
SID 53787865, Version: 17, Same
SID 53787865, Version: 18, Same
SID 53787865, Version: 19, Same
SID 71973072, Version: 1, Mixture
SID 85314246, Version: 1, Same
SID 99289274, Version: 1, Same
SID 103171853, Version: 1, Same
SID 103171853, Version: 2, Same
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