EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	OJ9787WBLU
EPA CompTox	DTXSID5075311

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

OJ9787WBLU

EPA CompTox

DTXSID5075311


InChI Key	LSNNMFCWUKXFEE-UHFFFAOYSA-M
Smiles	OS([O-])=O
InChI	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1

InChI Key

LSNNMFCWUKXFEE-UHFFFAOYSA-M

Smiles

OS([O-])=O

InChI

InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1

Property Name	Value
Molecular Formula	HO3S
Molecular Weight	80.97
AlogP	-0.66
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	60.36
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

HO3S

Molecular Weight

80.97

AlogP

-0.66

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

60.36

Heavy Atoms

4.0

Resources	Reference
CAS NUMBER	15181-46-1
NORMAN SUSDAT
FDA SRS	OJ9787WBLU
PubChem	104748

Resources

Reference

CAS NUMBER

15181-46-1

NORMAN SUSDAT

FDA SRS

OJ9787WBLU

PubChem

104748

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

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Structure

Physicochemical Descriptors

Cross References