| MolName | 4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C21H14N2O4Cl2 |
| Smiles | OC(c(cc1)ccc1N/N=C\c(cc1)ccc1OC(c(cc1)cc(Cl)c1Cl)=O)=O |
| InChI | InChI=1S/C21H14Cl2N2O4/c22-18-10-5-15(11-19(18)23)21(28)29-17-8-1-13(2-9-17)12-24-25-16-6-3-14(4-7-16)20(26)27/h1-12,25H,(H,26,27) |
| InChIK | NDHVTIJUOYHTLK-UHFFFAOYSA-N |
| TotalMolweight | 429.258 |
| Molweight | 429.258 |
| MonoisotopicMass | 428.033062 |
| CLogP | 6.9685 |
| CLogS | -6.104 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 311.69 |
| Relative PSA | 0.23148 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 1.7216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid