Benzoic acid, 3-(formylamino)-2-hydroxy-
PubChem CID: 15409159
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-formamidosalicylic acid, 17968-71-7, SCHEMBL4297093, 3-formamido-2-hydroxybenzoic acid, JKZOPKFAVINWRO-UHFFFAOYSA-N, Benzoic acid, 3-(formylamino)-2-hydroxy- |
|---|---|
| Topological Polar Surface Area | 86.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-formamido-2-hydroxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C8H7NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKZOPKFAVINWRO-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.381 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.79 |
| Compound Name | Benzoic acid, 3-(formylamino)-2-hydroxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 181.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 181.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 181.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9727498615384613 |
| Inchi | InChI=1S/C8H7NO4/c10-4-9-6-3-1-2-5(7(6)11)8(12)13/h1-4,11H,(H,9,10)(H,12,13) |
| Smiles | C1=CC(=C(C(=C1)NC=O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Umbrosum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Drimia Altissima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Helenium Amarum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Scutellaria Viscidula (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Retrorsus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients