3-hydroxy-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C16H11N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-nitrothiophen-3-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C16H11N3O4S |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2cc3ccccc3cc2O)=O)cs1)=O |
| InChI | InChI=1S/C16H11N3O4S/c20-14-7-12-4-2-1-3-11(12)6-13(14)16(21)18-17-8-10-5-15(19(22)23)24-9-10/h1-9,20H,(H,18,21) |
| InChIK | GMJOHDZNZDZMEE-UHFFFAOYSA-N |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.047027 |
| CLogP | 3.1027 |
| CLogS | -5.541 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 247.55 |
| Relative PSA | 0.40351 |
| PolarSurfaceArea | 135.75 |
| Druglikeness | -0.21705 |
| Mutagenic | none |
| Tumorigenic | none |
| 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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