3,5-Dihydroxy-trans-stilbene-2-carboxylic acid
PubChem CID: 9813767
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| Compound Synonyms | SCHEMBL6229519, 3,5-dihydroxy-trans-stilbene-2-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dihydroxy-6-[(E)-2-phenylethenyl]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYRISADACLJHMJ-VOTSOKGWSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.392 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.202 |
| Compound Name | 3,5-Dihydroxy-trans-stilbene-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.940961821052631 |
| Inchi | InChI=1S/C15H12O4/c16-12-8-11(14(15(18)19)13(17)9-12)7-6-10-4-2-1-3-5-10/h1-9,16-17H,(H,18,19)/b7-6+ |
| Smiles | C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Onosma Hispida (Plant) Rel Props:Source_db:cmaup_ingredients