N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-phenylbenzamide
Formula:C20H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-phenylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-phenylbenzamide |
| MolecularFormula | C20H14N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c(cc1)ccc1-c1ccccc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H14ClN3O3/c21-18-11-6-14(12-19(18)24(26)27)13-22-23-20(25)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-13H,(H,23,25) |
| InChIK | CAEASULKJKYPQS-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 |
Click to Load Molecule:
1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-phenylbenzamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-phenylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off