2-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanol
Formula:C17H17N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanol |
| MolecularFormula | C17H17N2O |
| Smiles | OCC[n+]1ccc(/C=C/c2c[nH]c3c2cccc3)cc1 |
| InChI | InChI=1S/C17H16N2O/c20-12-11-19-9-7-14(8-10-19)5-6-15-13-18-17-4-2-1-3-16(15)17/h1-10,13,20H,11-12H2/p+1 |
| InChIK | XDJPKYJEMFSTSV-UHFFFAOYSA-O |
| TotalMolweight | 265.335 |
| Molweight | 265.335 |
| MonoisotopicMass | 265.134088 |
| CLogP | -1.6892 |
| CLogS | -2.643 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 214.86 |
| Relative PSA | 0.13893 |
| PolarSurfaceArea | 39.9 |
| Druglikeness | -0.59684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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