Estetrol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 37
Total Number of Articles : 40
PubChem 27125
Molecular Formula

C18H24O4

SMILES

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

InChI

InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

synonyms
  • ESTETROL
  • 15183-37-6
  • Estetrol anhydrous
Click to show/hide the synonyms
Properties
Property Value
MW 304.4 g/mol
HBD 4
HBA 4
Rotatable Bond Count 0
Exact Mass 304.16745924 g/mol
Monoisotopic Mass 304.16745924 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 441
xlogp 1.5
Topological Polar Surface Area 80.9