BDBM36197 6-heptenoate
SMILES: [O-]C(=O)CCCCC=C
InChI Key: InChIKey=RWNJOXUVHRXHSD-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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36197 | CHEBI MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -3.59 | 0.883 | -4.48 | 2.64 | 6.90 | 25 | |
NIST | J Phys Chem B 101: 87-100 (1997) |