(3Z)-3-(naphthalen-1-ylmethylidene)-5-phenylfuran-2-one
Formula:C21H14O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-(naphthalen-1-ylmethylidene)-5-phenylfuran-2-one is a drug-like molecule.
| MolName | (3Z)-3-(naphthalen-1-ylmethylidene)-5-phenylfuran-2-one |
| MolecularFormula | C21H14O2 |
| Smiles | O=C1OC(c2ccccc2)=C/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C21H14O2/c22-21-18(14-20(23-21)16-8-2-1-3-9-16)13-17-11-6-10-15-7-4-5-12-19(15)17/h1-14H |
| InChIK | PUSLKOZQPUBYTQ-UHFFFAOYSA-N |
| TotalMolweight | 298.34 |
| Molweight | 298.34 |
| MonoisotopicMass | 298.09938 |
| CLogP | 4.6176 |
| CLogS | -5.283 |
| H Acceptors | 2 |
| TotalSurfaceArea | 231.29 |
| Relative PSA | 0.099615 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.13575 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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