(2E)-2-inden-1-ylidenebenzo[g][1,3]benzodioxole
Formula:C20H12O2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(2E)-2-inden-1-ylidenebenzo[g][1,3]benzodioxole is not a drug-like molecule.
| MolName | (2E)-2-inden-1-ylidenebenzo[g][1,3]benzodioxole |
| MolecularFormula | C20H12O2 |
| Smiles | C(c1c2cccc1)=C/C2=C1\Oc(c2ccccc2cc2)c2O1 |
| InChI | InChI=1S/C20H12O2/c1-3-7-15-13(5-1)9-11-17(15)20-21-18-12-10-14-6-2-4-8-16(14)19(18)22-20/h1-12H |
| InChIK | ZHBLEXUEZHHOPY-UHFFFAOYSA-N |
| TotalMolweight | 284.313 |
| Molweight | 284.313 |
| MonoisotopicMass | 284.08373 |
| CLogP | 5.1134 |
| CLogS | -6.807 |
| H Acceptors | 2 |
| TotalSurfaceArea | 210.04 |
| Relative PSA | 0.09522 |
| PolarSurfaceArea | 18.46 |
| Druglikeness | -0.99159 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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