[(Z)-(3-nitrophenyl)methylideneamino] furan-2-carboxylate
Formula:C12H8N2O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] furan-2-carboxylate |
| MolecularFormula | C12H8N2O5 |
| Smiles | [O-][N+](c1cc(/C=N\OC(c2ccco2)=O)ccc1)=O |
| InChI | InChI=1S/C12H8N2O5/c15-12(11-5-2-6-18-11)19-13-8-9-3-1-4-10(7-9)14(16)17/h1-8H |
| InChIK | AXVVHPRFQZHIQJ-UHFFFAOYSA-N |
| TotalMolweight | 260.205 |
| Molweight | 260.205 |
| MonoisotopicMass | 260.043323 |
| CLogP | 2.1852 |
| CLogS | -3.913 |
| H Acceptors | 7 |
| TotalSurfaceArea | 198.89 |
| Relative PSA | 0.39761 |
| PolarSurfaceArea | 97.62 |
| Druglikeness | -7.6071 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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