Compound Summary (CID 5465460) |
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  Compound Information CID 5465460 Create Date: 2005-03-26 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 301.25424 [g/mol] | | Molecular Formula | | C14H11N3O5 | | XLogP3-AA | | 2.6 | | H-Bond Donor | | 0 | | H-Bond Acceptor | | 6 | | Rotatable Bond Count | | 5 | | | | | Exact Mass | | 301.06987 | | MonoIsotopic Mass | | 301.06987 | | Topological Polar Surface Area | | 115 | | Heavy Atom Count | | 22 | | Formal Charge | | 0 | | Complexity | | 565 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 1 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 4 | | Feature 3D Ring Count | | 2 | | Effective Rotor Count | | 5.2 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 79 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 235600, Version: 2, Same
SID 235600, Version: 3, Same
SID 235600, Version: 4, Same
SID 504453, Version: 1, Same
SID 504453, Version: 2, Same
SID 16958676, Version: 1, Same
SID 89650396, Version: 1, Same
SID 95514232, Version: 1, Same
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