Dicumarol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 128
Total Number of Articles : 360
PubChem 54676038
Molecular Formula

C19H12O6

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O

InChI

InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2

synonyms
  • dicumarol
  • dicoumarol
  • 66-76-2
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Properties
Property Value
MW 336.3 g/mol
HBD 2
HBA 6
Rotatable Bond Count 2
Exact Mass 336.06338810 g/mol
Monoisotopic Mass 336.06338810 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 605
xlogp 2.6
Topological Polar Surface Area 93.1