FLUOROESTRADIOL F-18

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Synonyms
Status
Molecule Category Free-form
UNII T32277KB09
EPA CompTox DTXSID101027872

Structure

InChI Key KDLLNMRYZGUVMA-ZYMZXAKXSA-N
Smiles C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]([18F])[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/i19-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FO2
Molecular Weight 289.38
AlogP 3.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None FDA

Related Entries

Cross References

Resources Reference
CAS NUMBER 94153-53-4
ChEMBL CHEMBL4594261
FDA SRS T32277KB09
PubChem 10869981
ZINC ZINC000100657549
CONTENTS