Ethinyl Estradiol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 318
Total Number of Articles : 527
PubChem 5991
Molecular Formula

C20H24O2

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

synonyms
  • ethinyl estradiol
  • Ethynylestradiol
  • 57-63-6
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Properties
Property Value
MW 296.4 g/mol
HBD 2
HBA 2
Rotatable Bond Count 1
Exact Mass 296.177630004 g/mol
Monoisotopic Mass 296.177630004 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 505
xlogp 3.7
Topological Polar Surface Area 40.5