Molecule ID: 24796777

IUPAC Name: [(3Z,6Z)-dodeca-3,6-dienyl]sulfamic acid

Description: The molecule is a member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate acid of a (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamate.

SMILES: CCCCC/C=C\C/C=C\CCNS(=O)(=O)O

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,14,15,16)/b7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 3.2