EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	R5F0CTD2OJ
EPA CompTox	DTXSID4041442

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

R5F0CTD2OJ

EPA CompTox

DTXSID4041442


InChI Key	KVBGVZZKJNLNJU-UHFFFAOYSA-M
Smiles	[O-]S(=O)(=O)c1ccc2ccccc2c1
InChI	InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1

InChI Key

KVBGVZZKJNLNJU-UHFFFAOYSA-M

Smiles

[O-]S(=O)(=O)c1ccc2ccccc2c1

InChI

InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1

Property Name	Value
Molecular Formula	C10H7O3S
Molecular Weight	207.01
AlogP	1.74
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	57.2
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H7O3S

Molecular Weight

207.01

AlogP

1.74

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

57.2

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	532-02-5
NORMAN SUSDAT
FDA SRS	R5F0CTD2OJ
PubChem	3769791

Resources

Reference

CAS NUMBER

532-02-5

NORMAN SUSDAT

FDA SRS

R5F0CTD2OJ

PubChem

3769791

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...

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Last update: Monday, 3 November 2025

SODIUM NAPHTHALENE-2-SULPHONATE

Structure

Physicochemical Descriptors

Cross References