Anthranilate
PubChem CID: 5459842
Connections displayed (default: 10).
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| Compound Synonyms | 2-aminobenzoate, anthranilate, o-Aminobenzoate, Anthranic acid, 9031-59-8, 2-azanylbenzoate, CHEBI:16567, DTXSID80420080, 3h78, RWZYAGGXGHYGMB-UHFFFAOYSA-M, c0345, AKOS024456031, A804127, Q27101976 |
|---|---|
| Topological Polar Surface Area | 66.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminobenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C7H6NO2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWZYAGGXGHYGMB-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -2.041 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.673 |
| Compound Name | Anthranilate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.04 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 136.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 136.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.574006 |
| Inchi | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1 |
| Smiles | C1=CC=C(C(=C1)C(=O)[O-])N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all