| Phytochemical Name : Calvatic acid |
| PCNDIDC0016 |
| Pubchem CID : 99679 |
| Molecular formula: C8H5N3O3 |
| Canonical SMILES : C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-] |
Synonymes : Calvatic acid|54723-08-9|(4-carboxyphenyl)-cyanoimino-oxidoazanium|Benzoic acid, 4-(cyano-NNO-azoxy)-|Calvatinic acid|p-Carboxyphenylazoxycyanide|Acide calvatique [French]|4-carboxy-N-(cyanoimino)benzen-1-imine oxide|NSC 264713|BRN 1842501|Acide calvatique|CHEMBL131824|NSC264713|AKOS006276191|AKOS040734763|NSC-264713|LS-36674|NCI60_002121|4-carboxy-N-(cyanoimino)benzen-1-imineoxide|EN300-300167 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.060 |
| Log Po/w (XLOGP3) : 1.340 |
| Log Po/w (WLOGP) : 1.460 |
| Log Po/w (MLOGP) : 0.280 |
| Log Po/w (SILICOS-IT) : -0.750 |
| Consensus Log Po/w : 0.680 |