2-chloro-4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-4-nitro-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H14N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C\CCc1ccccc1)=O)=O |
| InChI | InChI=1S/C16H14ClN3O3/c17-15-11-13(20(22)23)8-9-14(15)16(21)19-18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-11H,4,7H2,(H,19,21) |
| InChIK | OJIKNDLYJSLTAR-UHFFFAOYSA-N |
| TotalMolweight | 331.758 |
| Molweight | 331.758 |
| MonoisotopicMass | 331.072369 |
| CLogP | 3.0276 |
| CLogS | -5.074 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.6 |
| Relative PSA | 0.26195 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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