N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Formula:C23H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-[(2Z)-2-benzylidenehydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H18N4O4 |
| Smiles | [O-][N+](c1cc(/C=C(/C(N/N=C\c2ccccc2)=O)\NC(c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C23H18N4O4/c28-22(19-11-5-2-6-12-19)25-21(15-18-10-7-13-20(14-18)27(30)31)23(29)26-24-16-17-8-3-1-4-9-17/h1-16H,(H,25,28)(H,26,29) |
| InChIK | LRGKICZQBGJUJT-UHFFFAOYSA-N |
| TotalMolweight | 414.42 |
| Molweight | 414.42 |
| MonoisotopicMass | 414.132806 |
| CLogP | 3.8967 |
| CLogS | -5.926 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 324.34 |
| Relative PSA | 0.28035 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 1.2988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| 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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