[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate
Formula:C28H20N3O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate |
| MolecularFormula | C28H20N3O4Br |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H20BrN3O4/c29-23-13-16-25(36-28(35)21-9-5-2-6-10-21)22(17-23)18-30-32-27(34)20-11-14-24(15-12-20)31-26(33)19-7-3-1-4-8-19/h1-18H,(H,31,33)(H,32,34) |
| InChIK | JYMASDKSNAEIKY-UHFFFAOYSA-N |
| TotalMolweight | 542.388 |
| Molweight | 542.388 |
| MonoisotopicMass | 541.063718 |
| CLogP | 6.5048 |
| CLogS | -7.537 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 382.1 |
| Relative PSA | 0.21866 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 2.6969 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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]-4-bromophenyl] benzoate | 2 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-bromophenyl] benzoate
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