4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID: 5322167
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| Compound Synonyms | 4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid, 306955-19-1, 4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylicacid |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2,3-dihydro-1H-quinoline-4-carboxylic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C10H11NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XMBFPFCDVMKUIN-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 4-Hydroxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 193.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 193.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 193.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.774095257142857 |
| Inchi | InChI=1S/C10H11NO3/c12-9(13)10(14)5-6-11-8-4-2-1-3-7(8)10/h1-4,11,14H,5-6H2,(H,12,13) |
| Smiles | C1CNC2=CC=CC=C2C1(C(=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients