HIT ID: HIT101137335

Cas No: 53-16-7

分子式: C18H22O2

分子量: 270.372

常用名: Estrone

氢键受体数 (HBA): 2

氢键供体数 (HBD): 1

LogP: 3.382

IUPAC: (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O

InChI key: DNXHEGUUPJUMQT-CBZIJGRNSA-N