[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N3O4 |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cccc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H21N3O4/c32-26(20-9-3-1-4-10-20)30-24-17-15-21(16-18-24)27(33)31-29-19-23-13-7-8-14-25(23)35-28(34)22-11-5-2-6-12-22/h1-19H,(H,30,32)(H,31,33) |
| InChIK | WSELYWMXXMFNSI-UHFFFAOYSA-N |
| TotalMolweight | 463.492 |
| Molweight | 463.492 |
| MonoisotopicMass | 463.153207 |
| CLogP | 5.7796 |
| CLogS | -6.703 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 363.47 |
| Relative PSA | 0.22987 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 4.4869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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