3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C16H11N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C16H11N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc3ccccc3cc2O)=O)o1)=O |
| InChI | InChI=1S/C16H11N3O5/c20-14-8-11-4-2-1-3-10(11)7-13(14)16(21)18-17-9-12-5-6-15(24-12)19(22)23/h1-9,20H,(H,18,21) |
| InChIK | FPDXWPXJSZREMK-UHFFFAOYSA-N |
| TotalMolweight | 325.279 |
| Molweight | 325.279 |
| MonoisotopicMass | 325.069872 |
| CLogP | 2.6688 |
| CLogS | -5.698 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 241.3 |
| Relative PSA | 0.38806 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 3.0582 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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