BDBM36186 4-methoxyphenylacetate
SMILES: COc1ccc(CC([O-])=O)cc1
InChI Key: InChIKey=NRPFNQUDKRYCNX-UHFFFAOYSA-M
Data: 1 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36186 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -2.51 | -0.548 | -1.96 | 1.84 | 6.90 | 25 | |
NIST | J Phys Chem B 101: 87-100 (1997) |