N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C15H13N3O4 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(Cc2ccccc2)=O)cc1O)=O |
| InChI | InChI=1S/C15H13N3O4/c19-13-6-7-14(18(21)22)12(9-13)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20) |
| InChIK | GOIWZELLCZVZPH-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 1.9324 |
| CLogS | -3.85 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 230.77 |
| Relative PSA | 0.34463 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.80585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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