(5Z)-5-(hydroxymethylidene)-6,7-dihydro-1-benzofuran-4-one
Formula:C9H8O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(hydroxymethylidene)-6,7-dihydro-1-benzofuran-4-one is a drug-like molecule.
| MolName | (5Z)-5-(hydroxymethylidene)-6,7-dihydro-1-benzofuran-4-one |
| MolecularFormula | C9H8O3 |
| Smiles | O/C=C(/CCc1c2cco1)\C2=O |
| InChI | InChI=1S/C9H8O3/c10-5-6-1-2-8-7(9(6)11)3-4-12-8/h3-5,10H,1-2H2 |
| InChIK | WHMFVDUSQIAFIM-UHFFFAOYSA-N |
| TotalMolweight | 164.16 |
| Molweight | 164.16 |
| MonoisotopicMass | 164.047345 |
| CLogP | 0.7098 |
| CLogS | -2.412 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 125.78 |
| Relative PSA | 0.32 |
| PolarSurfaceArea | 50.44 |
| Druglikeness | -0.61298 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| StereoCon |
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