4-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]benzamide
Formula:C20H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1-c1ccccc1)=O)=O |
| InChI | InChI=1S/C20H15N3O3/c24-20(18-10-12-19(13-11-18)23(25)26)22-21-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-14H,(H,22,24) |
| InChIK | OPCZJIRBMGFPSE-UHFFFAOYSA-N |
| TotalMolweight | 345.357 |
| Molweight | 345.357 |
| MonoisotopicMass | 345.111342 |
| CLogP | 3.9392 |
| CLogS | -6.267 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.42 |
| Relative PSA | 0.24565 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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