EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NVC3RT6T4K
EPA CompTox	DTXSID8075382

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NVC3RT6T4K

EPA CompTox

DTXSID8075382


InChI Key	IFPHDUVGLXEIOQ-UHFFFAOYSA-N
Smiles	OC(=O)c1c(cccc1)[I]=O
InChI	InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)

InChI Key

IFPHDUVGLXEIOQ-UHFFFAOYSA-N

Smiles

OC(=O)c1c(cccc1)[I]=O

InChI

InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)

Property Name	Value
Molecular Formula	C7H5I1O3
Molecular Weight	263.93
AlogP	1.87
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	54.37
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H5I1O3

Molecular Weight

263.93

AlogP

1.87

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

54.37

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	304-91-6
NORMAN SUSDAT
FDA SRS	NVC3RT6T4K
PubChem	67537
ChemSpider	60859.0

Resources

Reference

CAS NUMBER

304-91-6

NORMAN SUSDAT

FDA SRS

NVC3RT6T4K

PubChem

67537

ChemSpider

60859.0

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

2-IODOSYLBENZOIC ACID

Structure

Physicochemical Descriptors

Cross References