IPODATE

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key YQNFBOJPTAXAKV-OMCISZLKSA-N
Smile CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I
InChI
InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)/b16-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13I3N2O2
Molecular Weight 597.96
AlogP 3.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEBI 81496
ChEMBL CHEMBL1201243
DrugCentral 1474
KEGG C18093
SureChEMBL SCHEMBL37851
ZINC ZINC000003830962
CONTENTS