(3E)-3-[(3-hydroxyphenyl)methylidene]oxolan-2-one
Formula:C11H10O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3-hydroxyphenyl)methylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[(3-hydroxyphenyl)methylidene]oxolan-2-one |
| MolecularFormula | C11H10O3 |
| Smiles | Oc1cccc(/C=C(\CCO2)/C2=O)c1 |
| InChI | InChI=1S/C11H10O3/c12-10-3-1-2-8(7-10)6-9-4-5-14-11(9)13/h1-3,6-7,12H,4-5H2 |
| InChIK | YCQYJYIJDKPOTP-UHFFFAOYSA-N |
| TotalMolweight | 190.197 |
| Molweight | 190.197 |
| MonoisotopicMass | 190.062995 |
| CLogP | 1.3813 |
| CLogS | -2.071 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 146.09 |
| Relative PSA | 0.24738 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.36786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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