[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Formula:C20H16O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.
| MolName | [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate |
| MolecularFormula | C20H16O6 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)OC/C=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H16O6/c21-20(8-5-15-4-7-17-19(11-15)26-13-24-17)22-9-1-2-14-3-6-16-18(10-14)25-12-23-16/h1-8,10-11H,9,12-13H2 |
| InChIK | YUNCNJVPRGUNFC-UHFFFAOYSA-N |
| TotalMolweight | 352.341 |
| Molweight | 352.341 |
| MonoisotopicMass | 352.09469 |
| CLogP | 4.3039 |
| CLogS | -5.389 |
| H Acceptors | 6 |
| TotalSurfaceArea | 268.05 |
| Relative PSA | 0.23518 |
| PolarSurfaceArea | 63.22 |
| Druglikeness | -3.1751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
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