4-nitro-N-[(Z)-2-phenylethylideneamino]benzamide
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-2-phenylethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-2-phenylethylideneamino]benzamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\Cc1ccccc1)=O)=O |
| InChI | InChI=1S/C15H13N3O3/c19-15(13-6-8-14(9-7-13)18(20)21)17-16-11-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,17,19) |
| InChIK | IMNODPLNARCJCI-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 1.9672 |
| CLogS | -4.068 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 224.42 |
| Relative PSA | 0.29601 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.87407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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