3-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C18H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C18H13N3O5 |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(c2cc3ccccc3cc2O)=O)cc1O)=O |
| InChI | InChI=1S/C18H13N3O5/c22-14-5-6-16(21(25)26)13(7-14)10-19-20-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,20,24) |
| InChIK | CJBZZTGVNGNXRD-UHFFFAOYSA-N |
| TotalMolweight | 351.317 |
| Molweight | 351.317 |
| MonoisotopicMass | 351.085522 |
| CLogP | 2.783 |
| CLogS | -5.195 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 257.96 |
| Relative PSA | 0.35909 |
| PolarSurfaceArea | 127.74 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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