Estrogens

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 284
Total Number of Articles : 308
PubChem 23676225
Molecular Formula

C18H19NaO5S

SMILES

C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+]

InChI

InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1

synonyms
  • 16680-47-0
  • Sodium equilin sulfate
  • Equilin sodium sulfate
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Properties
Property Value
MW 370.4 g/mol
HBD 0
HBA 5
Rotatable Bond Count 2
Exact Mass 370.08508916 g/mol
Monoisotopic Mass 370.08508916 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 2
Complexity 682
xlogp None
Topological Polar Surface Area 91.9