[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C30H23N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C30H23N3O4 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(c(cc2)ccc2NC(c2ccccc2)=O)=O)cccc1 |
| InChI | InChI=1S/C30H23N3O4/c34-28(20-15-22-9-3-1-4-10-22)37-27-14-8-7-13-25(27)21-31-33-30(36)24-16-18-26(19-17-24)32-29(35)23-11-5-2-6-12-23/h1-21H,(H,32,35)(H,33,36) |
| InChIK | GLOKHUDQTSNZNY-UHFFFAOYSA-N |
| TotalMolweight | 489.53 |
| Molweight | 489.53 |
| MonoisotopicMass | 489.168857 |
| CLogP | 6.1088 |
| CLogS | -7.073 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 389.97 |
| Relative PSA | 0.21425 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 2.3519 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64865 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| 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] (E)-3-phenylprop-2-enoate | 2 - [2-[(Z)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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