(2Z)-2-(hydroxymethylidene)-3H-inden-1-one
Formula:C10H8O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(hydroxymethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-(hydroxymethylidene)-3H-inden-1-one |
| MolecularFormula | C10H8O2 |
| Smiles | O/C=C(/Cc1c2cccc1)\C2=O |
| InChI | InChI=1S/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,11H,5H2 |
| InChIK | TZEGKXPSKGBUEX-UHFFFAOYSA-N |
| TotalMolweight | 160.172 |
| Molweight | 160.172 |
| MonoisotopicMass | 160.05243 |
| CLogP | 1.1791 |
| CLogS | -2.46 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 122.33 |
| Relative PSA | 0.21368 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.55 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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