Coumarins

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 209
Total Number of Articles : 248
PubChem 54678486
Molecular Formula

C19H16O4

SMILES

CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3

synonyms
  • warfarin
  • 81-81-2
  • Coumadin
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Properties
Property Value
MW 308.3 g/mol
HBD 1
HBA 4
Rotatable Bond Count 4
Exact Mass 308.10485899 g/mol
Monoisotopic Mass 308.10485899 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 502
xlogp 2.7
Topological Polar Surface Area 63.6