(2E)-2-[(2-hydroxyphenyl)methylidene]-3H-inden-1-one
Formula:C16H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-hydroxyphenyl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[(2-hydroxyphenyl)methylidene]-3H-inden-1-one |
| MolecularFormula | C16H12O2 |
| Smiles | Oc1c(/C=C(\Cc2c3cccc2)/C3=O)cccc1 |
| InChI | InChI=1S/C16H12O2/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10,17H,9H2 |
| InChIK | MTRGPBISOZJVME-UHFFFAOYSA-N |
| TotalMolweight | 236.269 |
| Molweight | 236.269 |
| MonoisotopicMass | 236.08373 |
| CLogP | 3.3251 |
| CLogS | -3.717 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 182.09 |
| Relative PSA | 0.14356 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.82646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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