1-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C18H13N3O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
1-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 1-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C18H13N3O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(c(ccc2ccccc22)c2O)=O)cccc1)=O |
| InChI | InChI=1S/C18H13N3O4/c22-17-14-7-3-1-5-12(14)9-10-15(17)18(23)20-19-11-13-6-2-4-8-16(13)21(24)25/h1-11,22H,(H,20,23) |
| InChIK | HHJLPNRYKQPNCD-UHFFFAOYSA-N |
| TotalMolweight | 335.318 |
| Molweight | 335.318 |
| MonoisotopicMass | 335.090607 |
| CLogP | 3.1287 |
| CLogS | -5.491 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 251.61 |
| Relative PSA | 0.31608 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.78017 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide | 2 - 1-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
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