[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C28H19N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C28H19N3O4Cl2 |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cccc1)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C28H19Cl2N3O4/c29-21-12-15-23(24(30)16-21)28(36)37-25-9-5-4-8-20(25)17-31-33-27(35)19-10-13-22(14-11-19)32-26(34)18-6-2-1-3-7-18/h1-17H,(H,32,34)(H,33,35) |
| InChIK | JBVMERGBKDABBS-UHFFFAOYSA-N |
| TotalMolweight | 532.382 |
| Molweight | 532.382 |
| MonoisotopicMass | 531.075261 |
| CLogP | 6.9916 |
| CLogS | -8.175 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 394.31 |
| Relative PSA | 0.21189 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.5307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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