BDBM36021 (+/-)-norphenylephrine
SMILES: [NH3+]CC(O)c1cccc(O)c1
InChI Key: InChIKey=LRCXRAABFLIVAI-UHFFFAOYSA-O
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36021 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.15 | 2.63 | -3.82 | 0.850 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36021 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -0.884 | 3.10 | -4.06 | 0.650 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36021 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.16 | 2.17 | -4.35 | 1.59 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36021 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.07 | 2.87 | -4.94 | 1.51 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |