(3Z)-3-[(4-aminonaphthalen-1-yl)methylidene]-2-benzofuran-1-one
Formula:C19H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[(4-aminonaphthalen-1-yl)methylidene]-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3Z)-3-[(4-aminonaphthalen-1-yl)methylidene]-2-benzofuran-1-one |
| MolecularFormula | C19H13NO2 |
| Smiles | Nc1ccc(/C=C(/c2c3cccc2)\OC3=O)c2ccccc12 |
| InChI | InChI=1S/C19H13NO2/c20-17-10-9-12(13-5-1-2-6-14(13)17)11-18-15-7-3-4-8-16(15)19(21)22-18/h1-11H,20H2 |
| InChIK | YQISWVXZJNENHC-UHFFFAOYSA-N |
| TotalMolweight | 287.317 |
| Molweight | 287.317 |
| MonoisotopicMass | 287.094629 |
| CLogP | 3.8276 |
| CLogS | -5.461 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.1 |
| Relative PSA | 0.1781 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | -0.77819 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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