3-Deuterioquinoline-4-carboxylic acid
PubChem CID: 11401048
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 50.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-deuterioquinoline-4-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C10H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQMSRUREDGBWKT-UICOGKGYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.746 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.87 |
| Compound Name | 3-Deuterioquinoline-4-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.054 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 174.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.712928800254369 |
| Inchi | InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)/i5D |
| Smiles | [2H]C1=C(C2=CC=CC=C2N=C1)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Source_db:cmaup_ingredients