IOTHALAMIC ACID

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 16CHD79MIX

Structure
InChI Key UXIGWFXRQKWHHA-UHFFFAOYSA-N
Smile CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
InChI
InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9I3N2O4
Molecular Weight 613.91
AlogP 2.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEBI 31713
ChEMBL CHEMBL1201300
DrugBank DB09133
DrugCentral 1469
EPA CompTox DTXSID5023164
FDA SRS 16CHD79MIX
PubChem 3737
SureChEMBL SCHEMBL23630220
ZINC ZINC000003830961
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