2-Propylquinoline
PubChem CID: 74166
Connections displayed (default: 10).
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| Compound Synonyms | 2-Propylquinoline, 1613-32-7, QUINOLINE, 2-PROPYL-, 2-Propyl-quinoline, 2-n-propylquinoline, 2-N-Propylquinoleine, DTXSID80167105, SCHEMBL725176, CHEMBL354607, DTXCID7089596, AKOS006370675, NS00115967 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C12H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZXJPGLOYYDHRM-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.576 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.358 |
| Compound Name | 2-Propylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 171.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 171.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4683373692307695 |
| Inchi | InChI=1S/C12H13N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-9H,2,5H2,1H3 |
| Smiles | CCCC1=NC2=CC=CC=C2C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Galipea Bracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Galipea Longiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all