Nicotinic acid,[carboxyl-14C]
PubChem CID: 644263
Connections displayed (default: 10).
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| Compound Synonyms | 2906-42-5, CID 644263, Nicotinic acid,[carboxyl-14C], AC1LD8VU, DTXSID30349353, nicotinic acid, [carboxy-14C]-, 3-Pyridinecarboxylic-14C acid (9CI) |
|---|---|
| Topological Polar Surface Area | 50.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 114.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pyridine-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C6H5NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVNIIMVLHYAWGP-ZQBYOMGUSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.774 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.168 |
| Compound Name | Nicotinic acid,[carboxyl-14C] |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.035 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 125.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2697734336713329 |
| Inchi | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i6+2 |
| Smiles | C1=CC(=CN=C1)[14C](=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asclepias Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Caltha Palustris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Palhinhaea Cernua (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Saccharum Granorum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients