BDBM36019 (4-methoxyphenethyl)ammonium
SMILES: COc1ccc(CC[NH3+])cc1
InChI Key: InChIKey=LTPVSOCPYWDIFU-UHFFFAOYSA-O
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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36019 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid PDB | -2.02 | 1.57 | -3.58 | 1.48 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36019 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid PDB | -2.68 | -0.762 | -1.93 | 1.97 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36019 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid PDB | -2.57 | -0.619 | -1.96 | 1.89 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36019 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid PDB | -2.24 | 2.48 | -4.73 | 1.65 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |