O-(4-HYDROXY-3,5-DIIODOPHENYL)-L-TYROSINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80962051

Structure

InChI Key LROTZSUGDZPWDN-ZDUSSCGKSA-N
Smiles O=C(O)C(N)CC1=CC=C(OC2=CC(I)=C(O)C(I)=C2)C=C1
InChI
InChI=1/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13I2NO4
Molecular Weight 524.89
AlogP 3.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.78
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 4192-14-7
NORMAN SUSDAT
CONTENTS