ligustilide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 181
Total Number of Articles : 82
PubChem 5319022
Molecular Formula

C12H14O2

SMILES

CCC/C=C\1/C2=C(C=CCC2)C(=O)O1

InChI

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-

synonyms
  • Ligustilide
  • 4431-01-0
  • (Z)-Ligustilide
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Properties
Property Value
MW 190.24 g/mol
HBD 0
HBA 2
Rotatable Bond Count 2
Exact Mass 190.099379685 g/mol
Monoisotopic Mass 190.099379685 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 345
xlogp 2.7
Topological Polar Surface Area 26.3