3-[(3-Chloro-4-pyridyl)methyl]-1-propoxy-indole
PubChem CID: 155925306
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| Compound Synonyms | CHEMBL4786349, 3-[(3-chloro-4-pyridyl)methyl]-1-propoxy-indole |
|---|---|
| Topological Polar Surface Area | 27.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(3-chloropyridin-4-yl)methyl]-1-propoxyindole |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C17H17ClN2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXJUVISPFIGEMG-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.989 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.075 |
| Compound Name | 3-[(3-Chloro-4-pyridyl)methyl]-1-propoxy-indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.103 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.103 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.914863228571429 |
| Inchi | InChI=1S/C17H17ClN2O/c1-2-9-21-20-12-14(15-5-3-4-6-17(15)20)10-13-7-8-19-11-16(13)18/h3-8,11-12H,2,9-10H2,1H3 |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC3=C(C=NC=C3)Cl |
| 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