EcoDrugPlus


Synonyms	Iopodic acid Ipodate Ipodic acid
Status
Molecule Category	Free-form
UNII	F604ZKI910

Synonyms

Iopodic acid

Ipodate

Ipodic acid

Status

Molecule Category

Free-form

UNII

F604ZKI910


InChI Key	YQNFBOJPTAXAKV-OMCISZLKSA-N
Smiles	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+

InChI Key

YQNFBOJPTAXAKV-OMCISZLKSA-N

Smiles

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+

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

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

Resources	Reference
ChEBI	81496
ChEMBL	CHEMBL1201243
DrugCentral	1474
FDA SRS	F604ZKI910
KEGG	C18093
SureChEMBL	SCHEMBL37851
ZINC	ZINC000003830962

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

KEGG

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

IPODATE

Structure

Physicochemical Descriptors

Cross References