Estradiol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4584
Total Number of Articles : 13475
PubChem 5757
Molecular Formula

C18H24O2

SMILES

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

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

synonyms
  • estradiol
  • beta-Estradiol
  • 17beta-Estradiol
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Properties
Property Value
MW 272.4 g/mol
HBD 2
HBA 2
Rotatable Bond Count 0
Exact Mass 272.177630004 g/mol
Monoisotopic Mass 272.177630004 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 382
xlogp 4
Topological Polar Surface Area 40.5