(5Z)-5-benzylidene-3-hydroxy-4-phenylfuran-2-one
Formula:C17H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-hydroxy-4-phenylfuran-2-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-hydroxy-4-phenylfuran-2-one |
| MolecularFormula | C17H12O3 |
| Smiles | OC(C(O/C1=C\c2ccccc2)=O)=C1c1ccccc1 |
| InChI | InChI=1S/C17H12O3/c18-16-15(13-9-5-2-6-10-13)14(20-17(16)19)11-12-7-3-1-4-8-12/h1-11,18H |
| InChIK | LNDFHYYSUASBFX-UHFFFAOYSA-N |
| TotalMolweight | 264.279 |
| Molweight | 264.279 |
| MonoisotopicMass | 264.078645 |
| CLogP | 2.4438 |
| CLogS | -3.611 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 201.25 |
| Relative PSA | 0.17958 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.15329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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