1-Propoxy-3-(4-pyridylmethyl)indole
PubChem CID: 155924813
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| Compound Synonyms | CHEMBL4782421, 1-propoxy-3-(4-pyridylmethyl)indole |
|---|---|
| Topological Polar Surface Area | 27.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-propoxy-3-(pyridin-4-ylmethyl)indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H18N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QSWJIHOAGRADBO-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.933 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.721 |
| Compound Name | 1-Propoxy-3-(4-pyridylmethyl)indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3308328 |
| Inchi | InChI=1S/C17H18N2O/c1-2-11-20-19-13-15(12-14-7-9-18-10-8-14)16-5-3-4-6-17(16)19/h3-10,13H,2,11-12H2,1H3 |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC3=CC=NC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients