| MolName | [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C23H15N3O4Cl4 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C23H15Cl4N3O4/c24-15-4-7-17(19(26)10-15)23(33)34-16-5-1-13(2-6-16)11-29-30-21(31)12-28-22(32)14-3-8-18(25)20(27)9-14/h1-11H,12H2,(H,28,32)(H,30,31) |
| InChIK | KUZZJCFERSZXJH-UHFFFAOYSA-N |
| TotalMolweight | 539.201 |
| Molweight | 539.201 |
| MonoisotopicMass | 536.981665 |
| CLogP | 6.1398 |
| CLogS | -7.902 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 379.15 |
| Relative PSA | 0.22036 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.1016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate