2-(3-Hydroxymercurio-2-methoxypropylcarbamoyl)phenoxyacetic acid
PubChem CID: 25203568
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| Compound Synonyms | 2-(3-Hydroxymercurio-2-methoxypropylcarbamoyl)phenoxyacetic acid |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | JSYUKXVWRPINHC-UHFFFAOYSA-M |
| Fcsp3 | 0.3846153846153846 |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 2-(3-Hydroxymercurio-2-methoxypropylcarbamoyl)phenoxyacetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 467.066 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 467.066 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 465.85 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-[[2-(carboxylatomethoxy)benzoyl]amino]-2-methoxypropyl]mercury |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Inchi | InChI=1S/C13H16NO5.Hg/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16, /h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16), /p-1 |
| Smiles | COC(CNC(=O)C1=CC=CC=C1OCC(=O)[O-])C[Hg] |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H15HgNO5- |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cola Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Paullinia Cupana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Theobroma Cacao (Plant) Rel Props:Source_db:cmaup_ingredients