Ochratoxin A
CAS: 303-47-9
| 1 | OCHRATOXIN A |
| 2 | Antibiotic 9663 |
| 3 | CHEBI:7719 |
| 4 | NCI-C56586 |
| 5 | DTXSID7021073 |
Ochratoxin A can cause cancer according to The National Toxicology Program.
| Molecular Formula | C20H18ClNO6 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 403.8000 |
| InChIKey | RWQKHEORZBHNRI-BMIGLBTASA-N |
| InChI | InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1 |
| XLogP | 4.7000 |
| ExactMass | 403.0823 |
| MonoisotopicMass | 403.0823 |
| TPSA | 113.0000 |
| Complexity | 608.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 28 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 2 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 4682 |
| PatentFamilyCount | 2120 |
| LiteratureCount | 7320 |