(6E)-6-benzylidene-5H-cyclopenta[f][1,3]benzodioxol-7-one
Formula:C17H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-benzylidene-5H-cyclopenta[f][1,3]benzodioxol-7-one is a drug-like molecule.
| MolName | (6E)-6-benzylidene-5H-cyclopenta[f][1,3]benzodioxol-7-one |
| MolecularFormula | C17H12O3 |
| Smiles | O=C(/C(/C1)=C/c2ccccc2)c2c1cc1OCOc1c2 |
| InChI | InChI=1S/C17H12O3/c18-17-13(6-11-4-2-1-3-5-11)7-12-8-15-16(9-14(12)17)20-10-19-15/h1-6,8-9H,7,10H2 |
| InChIK | BLUAUGXISRCNFC-UHFFFAOYSA-N |
| TotalMolweight | 264.279 |
| Molweight | 264.279 |
| MonoisotopicMass | 264.078645 |
| CLogP | 3.7822 |
| CLogS | -4.724 |
| H Acceptors | 3 |
| TotalSurfaceArea | 196 |
| Relative PSA | 0.16857 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | 0.76023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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