3-[(E)-2-phenylethenyl]-1H-indole
Formula:C16H13N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]-1H-indole is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]-1H-indole |
| MolecularFormula | C16H13N |
| Smiles | C(c1c[nH]c2c1cccc2)=C/c1ccccc1 |
| InChI | InChI=1S/C16H13N/c1-2-6-13(7-3-1)10-11-14-12-17-16-9-5-4-8-15(14)16/h1-12,17H |
| InChIK | DZMBGFYPZAPYOI-UHFFFAOYSA-N |
| TotalMolweight | 219.286 |
| Molweight | 219.286 |
| MonoisotopicMass | 219.104799 |
| CLogP | 3.906 |
| CLogS | -4.277 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 183.69 |
| Relative PSA | 0.076161 |
| PolarSurfaceArea | 15.79 |
| Druglikeness | -0.1484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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