(3E)-3-[(2-hydroxyphenyl)methylidene]-1H-indol-2-one
Formula:C15H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(2-hydroxyphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2-hydroxyphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H11NO2 |
| Smiles | Oc1c(/C=C(\c(cccc2)c2N2)/C2=O)cccc1 |
| InChI | InChI=1S/C15H11NO2/c17-14-8-4-1-5-10(14)9-12-11-6-2-3-7-13(11)16-15(12)18/h1-9,17H,(H,16,18) |
| InChIK | QJJAFCLEWYTXRC-UHFFFAOYSA-N |
| TotalMolweight | 237.257 |
| Molweight | 237.257 |
| MonoisotopicMass | 237.078979 |
| CLogP | 1.92 |
| CLogS | -3.073 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 179.79 |
| Relative PSA | 0.20913 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 2.6991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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