(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-benzofuran-1-one
Formula:C19H11O3Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-benzofuran-1-one |
| MolecularFormula | C19H11O3Cl |
| Smiles | O=C(c1c2cccc1)O/C2=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C19H11ClO3/c20-16-8-4-3-7-15(16)17-10-9-12(22-17)11-18-13-5-1-2-6-14(13)19(21)23-18/h1-11H |
| InChIK | WJLOZZZIZMLBBM-UHFFFAOYSA-N |
| TotalMolweight | 322.746 |
| Molweight | 322.746 |
| MonoisotopicMass | 322.039672 |
| CLogP | 4.8554 |
| CLogS | -5.975 |
| H Acceptors | 3 |
| TotalSurfaceArea | 236.85 |
| Relative PSA | 0.15685 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | 0.46761 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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