1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline
Formula:C19H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline is a drug-like molecule.
| MolName | 1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline |
| MolecularFormula | C19H14N2 |
| Smiles | C(c1c[nH]c2c1cccc2)=C/c1nccc2ccccc12 |
| InChI | InChI=1S/C19H14N2/c1-2-6-16-14(5-1)11-12-20-19(16)10-9-15-13-21-18-8-4-3-7-17(15)18/h1-13,21H |
| InChIK | GXWLLYOLXFYXAT-UHFFFAOYSA-N |
| TotalMolweight | 270.334 |
| Molweight | 270.334 |
| MonoisotopicMass | 270.115698 |
| CLogP | 4.1535 |
| CLogS | -5.112 |
| 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 | 0.57143 |
| 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 |
Click to Load Molecule:
1 - 1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline | 2 - 1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off