N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
Formula:C16H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H14N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CCc2ccccc2)=O)c1Cl)=O |
| InChI | InChI=1S/C16H14ClN3O3/c17-15-8-7-14(20(22)23)10-13(15)11-18-19-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,19,21) |
| InChIK | GEWHKHJINBWVSN-UHFFFAOYSA-N |
| TotalMolweight | 331.758 |
| Molweight | 331.758 |
| MonoisotopicMass | 331.072369 |
| CLogP | 3.3385 |
| CLogS | -5.152 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.6 |
| Relative PSA | 0.26195 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -1.9049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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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