3-[(3,5-Dichloro-4-pyridyl)methyl]-1-propoxy-indole
PubChem CID: 155925426
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| Compound Synonyms | CHEMBL4784928, 3-[(3,5-dichloro-4-pyridyl)methyl]-1-propoxy-indole |
|---|---|
| Topological Polar Surface Area | 27.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(3,5-dichloropyridin-4-yl)methyl]-1-propoxyindole |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C17H16Cl2N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | APVNHALCLXFDLG-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -5.791 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.266 |
| Compound Name | 3-[(3,5-Dichloro-4-pyridyl)methyl]-1-propoxy-indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.064 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 335.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.501296254545455 |
| Inchi | InChI=1S/C17H16Cl2N2O/c1-2-7-22-21-11-12(13-5-3-4-6-17(13)21)8-14-15(18)9-20-10-16(14)19/h3-6,9-11H,2,7-8H2,1H3 |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC3=C(C=NC=C3Cl)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