Chemical Name - Indole
Mol Weight - 117.151
Smiles - c1c[nH]c2c1cccc2
Mol Weight - 117.151
Smiles - c1c[nH]c2c1cccc2
| Property Value | |
| Mol Name | Indole |
| Molweight | 117.151 |
| Monoisotopic Mass | 117.057849 |
| Clogp | 1.699 |
| Clogs | -2.141 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 97.43 |
| Relative Psa | 0.14359 |
| Polar Surface Area | 15.79 |
| Druglikeness | -0.69049 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.6993 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 1 |
| Smiles | c1c[nH]c2c1cccc2 |
| InChIKey | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChI | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
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