4-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C14H11N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N/NC(c(cc2)ccc2O)=O)cc1)=O |
| InChI | InChI=1S/C14H11N3O4/c18-13-7-3-11(4-8-13)14(19)16-15-9-10-1-5-12(6-2-10)17(20)21/h1-9,18H,(H,16,19) |
| InChIK | WJYWHIJATSLZSH-UHFFFAOYSA-N |
| TotalMolweight | 285.258 |
| Molweight | 285.258 |
| MonoisotopicMass | 285.074957 |
| CLogP | 1.9343 |
| CLogS | -3.885 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 217.01 |
| Relative PSA | 0.36648 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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