| MolName | [3-benzoyloxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C30H21N3O6Cl2 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H21Cl2N3O6/c31-24-14-12-21(15-25(24)32)28(37)33-18-27(36)35-34-17-22-11-13-23(40-29(38)19-7-3-1-4-8-19)16-26(22)41-30(39)20-9-5-2-6-10-20/h1-17H,18H2,(H,33,37)(H,35,36) |
| InChIK | WQIWIDZFNLOIPI-UHFFFAOYSA-N |
| TotalMolweight | 590.418 |
| Molweight | 590.418 |
| MonoisotopicMass | 589.080741 |
| CLogP | 6.3583 |
| CLogS | -7.9 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 435.82 |
| Relative PSA | 0.24457 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 5.1016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate