undecylenic acid Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG PubChem

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Chemistry

Mol. Mass

406.613

ALogP

3.38

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [Ca++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
  • InChIKey: CLOKKBBIKHZGNX-UHFFFAOYSA-L
    1S/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1276010   ChEMBL
undecylenic acid

77YW1RTU8V   NCATS
calcium undecylenate *

K3D86KJ24N   NCATS
undecylenic acid

Undecylenic acid   Wikipedia

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