2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline
Formula:C19H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline |
| MolecularFormula | C19H14N2 |
| Smiles | C(c1c[nH]c2c1cccc2)=C/c1nc2ccccc2cc1 |
| InChI | InChI=1S/C19H14N2/c1-3-7-18-14(5-1)9-11-16(21-18)12-10-15-13-20-19-8-4-2-6-17(15)19/h1-13,20H |
| InChIK | XBSNGDJJHAYDLC-UHFFFAOYSA-N |
| TotalMolweight | 270.334 |
| Molweight | 270.334 |
| MonoisotopicMass | 270.115698 |
| CLogP | 4.276 |
| CLogS | -5.007 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 217.05 |
| Relative PSA | 0.115 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | -0.1484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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