2-Phenylisoquinoline
PubChem CID: 5320529
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-phenylisoquinoline, 2-phenyl-isoquinoline, SCHEMBL1553150, SCXBFXGVOQYURB-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-1H-isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | SCXBFXGVOQYURB-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.013 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.471 |
| Compound Name | 2-Phenylisoquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 207.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 207.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9262112 |
| Inchi | InChI=1S/C15H13N/c1-2-8-15(9-3-1)16-11-10-13-6-4-5-7-14(13)12-16/h1-11H,12H2 |
| Smiles | C1C2=CC=CC=C2C=CN1C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients