Indole-5-carboxylic acid
PubChem CID: 74280
Connections displayed (default: 10).
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| Compound Synonyms | Indole-5-carboxylic acid, 1H-indole-5-carboxylic acid, 1670-81-1, 5-Carboxyindole, 5-indolecarboxylic acid, 142396-03-0, MFCD00005678, Indole-5-carboxylic acid, 98%, EINECS 216-799-6, CHEMBL2018158, 5-Carboxyindole, , CHEBI:131778, DTXSID80168218, 1H-Indole-5-carboxylic acid, radical ion(1+), 4ZV, indol-5-carboxylic acid, 5-indole carboxylic acid, Indole 5-carboxylic acid, 1H-Indole-5-carboxylicacid, SCHEMBL105928, DTXCID5090709, Indole-5-carboxylic acid, 99%, BCP27354, CS-D1057, STR02571, BDBM50195791, STK503793, AKOS000265424, AC-3143, CG-0516, FI01415, SB10481, NCGC00342345-01, HY-59302, Indole-5-carboxylic acid, ~95% (TLC), SY004023, DB-031744, DB-291410, I0029, NS00025469, EN300-69795, AB00443749-03, AN-584/41714898, Indole-5-carboxylic acid, purum, >=98.0% (T), Q27455355, F2158-1505, Z1118536235, InChI=1/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12, 216-799-6 |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275, Q6XEC0 |
| Iupac Name | 1H-indole-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IENZCGNHSIMFJE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.072 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.983 |
| Compound Name | Indole-5-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9014919999999997 |
| Inchi | InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12) |
| Smiles | C1=CC2=C(C=CN2)C=C1C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all