4-benzamido-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
Formula:C21H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-benzamido-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-benzamido-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H16N4O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(c(cc2)ccc2NC(c2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C21H16N4O4/c26-20(15-6-2-1-3-7-15)23-18-12-10-16(11-13-18)21(27)24-22-14-17-8-4-5-9-19(17)25(28)29/h1-14H,(H,23,26)(H,24,27) |
| InChIK | MKHDTYBOMHOAPG-UHFFFAOYSA-N |
| TotalMolweight | 388.382 |
| Molweight | 388.382 |
| MonoisotopicMass | 388.117156 |
| CLogP | 3.4275 |
| CLogS | -5.693 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 299.63 |
| Relative PSA | 0.30347 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -0.28612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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