Estrogen
(8R,9S,13S,14S,17S)-13-methyl-17-prop-1-ynyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular Identity
Estrogen
(8R,9S,13S,14S,17S)-13-methyl-17-prop-1-ynyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
PubChem CID: 21628493
2D Structure
Properties
C21H26O2
Molecular Formula
310.40
Molecular Weight
g/mol
310.1933
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
543
Complexity
SMILES
Canonical SMILES
SMILES: CC#CC1(CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)OIsomeric SMILES
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C)OSynonyms(3)
EstrogenCHEMBL592868BDBM50309557
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Estrogen
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