(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-1-benzofuran-3-one
Formula:C15H10O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-1-benzofuran-3-one |
| MolecularFormula | C15H10O4 |
| Smiles | Oc(ccc(/C=C1\Oc(cccc2)c2C1=O)c1)c1O |
| InChI | InChI=1S/C15H10O4/c16-11-6-5-9(7-12(11)17)8-14-15(18)10-3-1-2-4-13(10)19-14/h1-8,16-17H |
| InChIK | HCBULGQMULJTCM-UHFFFAOYSA-N |
| TotalMolweight | 254.24 |
| Molweight | 254.24 |
| MonoisotopicMass | 254.05791 |
| CLogP | 2.6272 |
| CLogS | -3.55 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 184.68 |
| Relative PSA | 0.26662 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 0.068583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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