4-[(2Z)-2-benzylidenehydrazinyl]-3-nitro-N-phenylbenzamide
Formula:C20H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-benzylidenehydrazinyl]-3-nitro-N-phenylbenzamide is not a drug-like molecule.
| MolName | 4-[(2Z)-2-benzylidenehydrazinyl]-3-nitro-N-phenylbenzamide |
| MolecularFormula | C20H16N4O3 |
| Smiles | [O-][N+](c(cc(cc1)C(Nc2ccccc2)=O)c1N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C20H16N4O3/c25-20(22-17-9-5-2-6-10-17)16-11-12-18(19(13-16)24(26)27)23-21-14-15-7-3-1-4-8-15/h1-14,23H,(H,22,25) |
| InChIK | ZWZBKOBIGVNIRJ-UHFFFAOYSA-N |
| TotalMolweight | 360.372 |
| Molweight | 360.372 |
| MonoisotopicMass | 360.122241 |
| CLogP | 5.0668 |
| CLogS | -5.121 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.88 |
| Relative PSA | 0.27632 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -1.8788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-benzylidenehydrazinyl]-3-nitro-N-phenylbenzamide | 2 - 4-[(2Z)-2-benzylidenehydrazinyl]-3-nitro-N-phenylbenzamide
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