(3E)-3-[(2-hydroxynaphthalen-1-yl)methylidene]-1H-indol-2-one
Formula:C19H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(3E)-3-[(2-hydroxynaphthalen-1-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2-hydroxynaphthalen-1-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C19H13NO2 |
| Smiles | Oc1c(/C=C(\c(cccc2)c2N2)/C2=O)c2ccccc2cc1 |
| InChI | InChI=1S/C19H13NO2/c21-18-10-9-12-5-1-2-6-13(12)15(18)11-16-14-7-3-4-8-17(14)20-19(16)22/h1-11,21H,(H,20,22) |
| InChIK | ODOZKULKBOZNSX-UHFFFAOYSA-N |
| TotalMolweight | 287.317 |
| Molweight | 287.317 |
| MonoisotopicMass | 287.094629 |
| CLogP | 3.1144 |
| CLogS | -4.679 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 214.39 |
| Relative PSA | 0.17538 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 2.6991 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| 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 |
| Amides | 1 |
| StereoCon |
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