2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
Formula:C18H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline |
| MolecularFormula | C18H13NO2 |
| Smiles | C1Oc(cc(/C=C\c2nc3ccccc3cc2)cc2)c2O1 |
| InChI | InChI=1S/C18H13NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-11H,12H2 |
| InChIK | WCTKZIWXPMEAHC-UHFFFAOYSA-N |
| TotalMolweight | 275.306 |
| Molweight | 275.306 |
| MonoisotopicMass | 275.094629 |
| CLogP | 4.348 |
| CLogS | -5.193 |
| H Acceptors | 3 |
| TotalSurfaceArea | 213.14 |
| Relative PSA | 0.1453 |
| PolarSurfaceArea | 31.35 |
| Druglikeness | -1.4481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline | 2 - 2-[(Z)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
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