thymoquinone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 426
Total Number of Articles : 360
PubChem 10281
Molecular Formula

C10H12O2

SMILES

CC1=CC(=O)C(=CC1=O)C(C)C

InChI

InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

synonyms
  • Thymoquinone
  • 490-91-5
  • Thymoquinon
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Properties
Property Value
MW 164.20 g/mol
HBD 0
HBA 2
Rotatable Bond Count 1
Exact Mass 164.083729621 g/mol
Monoisotopic Mass 164.083729621 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 293
xlogp 2
Topological Polar Surface Area 34.1