Nigrifactin
PubChem CID: 5281688
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Nigrifactin, 23943-03-5, 6-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,3,4,5-tetrahydropyridine, C10162, AC1NQYWA, CHEBI:7571, DTXSID80415178, Q6042919 |
|---|---|
| Topological Polar Surface Area | 12.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,3,4,5-tetrahydropyridine |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C12H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHQABWCNLXWKMG-ILWUCBPQSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -1.59 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.197 |
| Compound Name | Nigrifactin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 175.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 175.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -2.2911049999999995 |
| Inchi | InChI=1S/C12H17N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-6,9H,7-8,10-11H2,1H3/b3-2+,5-4+,9-6+ |
| Smiles | C/C=C/C=C/C=C/C1=NCCCC1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Excelsa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients