5-Methyl-[1]benzofuro[3,2-b]quinolin-5-ium
PubChem CID: 11792910
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| Compound Synonyms | CHEMBL223173 |
|---|---|
| Topological Polar Surface Area | 17.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium, iodide |
| Prediction Hob | 1.0 |
| Molecular Formula | C16H12INO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADEJQVUZRAHMNL-UHFFFAOYSA-M |
| Fcsp3 | 0.0625 |
| Logs | -6.028 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.937 |
| Compound Name | 5-Methyl-[1]benzofuro[3,2-b]quinolin-5-ium, iodide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.996 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.996 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 361.18 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8977336631578945 |
| Inchi | InChI=1S/C16H12NO.HI/c1-17-13-8-4-2-6-11(13)10-15-16(17)12-7-3-5-9-14(12)18-15, /h2-10H,1H3, 1H/q+1, /p-1 |
| Smiles | C[N+]1=C2C3=CC=CC=C3OC2=CC4=CC=CC=C41.[I-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients