(2Z)-2-(furan-2-ylmethylidene)-1-benzofuran-3-one
Formula:C13H8O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(furan-2-ylmethylidene)-1-benzofuran-3-one is a drug-like molecule.
| MolName | (2Z)-2-(furan-2-ylmethylidene)-1-benzofuran-3-one |
| MolecularFormula | C13H8O3 |
| Smiles | O=C1c(cccc2)c2O/C1=C\c1ccco1 |
| InChI | InChI=1S/C13H8O3/c14-13-10-5-1-2-6-11(10)16-12(13)8-9-4-3-7-15-9/h1-8H |
| InChIK | YHQBGGPEHALTKN-UHFFFAOYSA-N |
| TotalMolweight | 212.204 |
| Molweight | 212.204 |
| MonoisotopicMass | 212.047345 |
| CLogP | 2.5073 |
| CLogS | -3.824 |
| H Acceptors | 3 |
| TotalSurfaceArea | 161.67 |
| Relative PSA | 0.22979 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -0.19544 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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