FLUOROESTRADIOL

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LVI5P34A3C

Structure
InChI Key KDLLNMRYZGUVMA-ZXXIGWHRSA-N
Smile C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](F)[C@@H]2O
InChI
InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FO2
Molecular Weight 290.38
AlogP 3.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1627367
FDA SRS LVI5P34A3C
PubChem 10401972
SureChEMBL SCHEMBL6543568
ZINC ZINC000013649948
CONTENTS