Compound Summary (CID 748863) |
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  Compound Information CID 748863 Create Date: 2005-07-08 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 281.26614 [g/mol] | | Molecular Formula | | C15H11N3O3 | | XLogP3-AA | | 1.9 | | H-Bond Donor | | 3 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 281.080041 | | MonoIsotopic Mass | | 281.080041 | | Topological Polar Surface Area | | 91.3 | | Heavy Atom Count | | 21 | | Formal Charge | | 0 | | Complexity | | 469 | | 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 Ring Count | | 3 | | Effective Rotor Count | | 3 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 6 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 969993, Version: 1, Same
SID 969993, Version: 2, Same
SID 3310847, Version: 1, Same
SID 3310847, Version: 2, Same
SID 3911834, Version: 1, Same
SID 25666465, Version: 1, Same
SID 25666465, Version: 3, Same
SID 25666465, Version: 4, Same
SID 27479190, Version: 1, Same
SID 27479190, Version: 3, Same
SID 51960514, Version: 1, Same
SID 57716375, Version: 1, Same
SID 57716375, Version: 2, Same
SID 60737649, Version: 1, Same
SID 60737649, Version: 2, Same
SID 88468155, Version: 1, Same
SID 88932501, Version: 1, Same
SID 94468707, Version: 1, Same
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