N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-phenylbenzamide
Formula:C20H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-phenylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-phenylbenzamide |
| MolecularFormula | C20H14N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c(cc2)ccc2-c2ccccc2)=O)c1Cl)=O |
| InChI | InChI=1S/C20H14ClN3O3/c21-19-11-10-18(24(26)27)12-17(19)13-22-23-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,23,25) |
| InChIK | IZLYIYTVJKGMJS-UHFFFAOYSA-N |
| TotalMolweight | 379.802 |
| Molweight | 379.802 |
| MonoisotopicMass | 379.072369 |
| CLogP | 4.5452 |
| CLogS | -7.003 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.84 |
| Relative PSA | 0.2324 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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