Quinoline-4-carboxylic acid
PubChem CID: 10243
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| Compound Synonyms | Quinoline-4-carboxylic acid, 486-74-8, 4-Quinolinecarboxylic acid, 4-Carboxyquinoline, CINCHONINIC ACID, Cinchonic acid, USAF D-2, MFCD00006782, NSC 13138, W6V42SQ9E8, CHEMBL4435617, NSC-13138, 4-quinolinecarboxylate, NSC 13138, 4-Carboxyquinoline, 4-Quinolinic Acid, EINECS 207-640-1, BRN 0005224, Cinchoninsaure, Maybridge1_002367, 4-QUINOLINIC ACID, quinoline4-carboxylic acid, 4-quinoline carboxylic acid, UNII-W6V42SQ9E8, Oprea1_466681, WLN: T66 BNJ EVQ, 5-22-03-00204 (Beilstein Handbook Reference), DivK1c_001119, SCHEMBL228713, CHEBI:18311, HMS548D13, DTXSID20197567, 4-Quinolinecarboxylic acid, 97%, ALBB-010275, HY-Y0057, NSC13138, STR06438, BDBM50518656, s6095, STK802543, N-QUINOLINE-4-CARBOXYLIC ACID, AKOS000270283, SB67877, SDCCGMLS-0065933.P001, CDS1_000079, NCGC00338192-01, AC-25671, SY021566, TS-02368, DB-002060, CS-0008340, NS00031814, Q0065, EN300-21700, C06414, AB01122702-03, AE-562/40181210, Q27102986, F0001-1273, Z104509698 |
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| Topological Polar Surface Area | 50.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q72547 |
| Iupac Name | quinoline-4-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C10H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQMSRUREDGBWKT-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.66 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.447 |
| Compound Name | Quinoline-4-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 173.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2124413692307687 |
| Inchi | InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13) |
| Smiles | C1=CC=C2C(=C1)C(=CC=N2)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all