2-(3-Amino-2,4-dibromo-6-hydroxy-phenyl)acetic acid
PubChem CID: 16072915
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL5280313, 2-(3-amino-2,4-dibromo-6-hydroxy-phenyl)acetic acid, Benzeneacetic acid, 3-amino-2,4-dibromo-6-hydroxy- |
|---|---|
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-amino-2,4-dibromo-6-hydroxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C8H7Br2NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHYHXZBXVWMGED-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.576 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.819 |
| Compound Name | 2-(3-Amino-2,4-dibromo-6-hydroxy-phenyl)acetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.877 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.879 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.95 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1297700571428573 |
| Inchi | InChI=1S/C8H7Br2NO3/c9-4-2-5(12)3(1-6(13)14)7(10)8(4)11/h2,12H,1,11H2,(H,13,14) |
| Smiles | C1=C(C(=C(C(=C1Br)N)Br)CC(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Arboreum (Plant) Rel Props:Source_db:cmaup_ingredients