Molecule ID: 385

IUPAC Name: heptanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. It has a role as an Escherichia coli metabolite and a Daphnia magna metabolite. It is a conjugate acid of a pimelate and a pimelate(1-).

SMILES: O=C(O)CCCCCC(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.5