5-[(E)-2-phenylethenyl]-1,3-benzodioxole
Formula:C15H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-[(E)-2-phenylethenyl]-1,3-benzodioxole is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-1,3-benzodioxole |
| MolecularFormula | C15H12O2 |
| Smiles | C1Oc(cc(/C=C/c2ccccc2)cc2)c2O1 |
| InChI | InChI=1S/C15H12O2/c1-2-4-12(5-3-1)6-7-13-8-9-14-15(10-13)17-11-16-14/h1-10H,11H2 |
| InChIK | IHBMGIUAQDCALO-UHFFFAOYSA-N |
| TotalMolweight | 224.258 |
| Molweight | 224.258 |
| MonoisotopicMass | 224.08373 |
| CLogP | 3.978 |
| CLogS | -4.463 |
| H Acceptors | 2 |
| TotalSurfaceArea | 179.78 |
| Relative PSA | 0.11125 |
| PolarSurfaceArea | 18.46 |
| Druglikeness | -1.7108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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