IODAMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V08AA03
UNII: 4RII332O0R

Structure
InChI Key VVDGWALACJEJKG-UHFFFAOYSA-N
Smile CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
InChI
InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11I3N2O4
Molecular Weight 627.94
AlogP 2.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 95.5
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEBI 31703
ChEMBL CHEMBL1201239
DrugBank DB08948
DrugCentral 1452
EPA CompTox DTXSID1023150
FDA SRS 4RII332O0R
PubChem 3723
SureChEMBL SCHEMBL37885
ZINC ZINC000003830933
CONTENTS