EcoDrugPlus


Synonyms	Auriclosene NVC-422 Nvc-422
Status
Molecule Category	Free-form
UNII	BKR7Y95229
EPA CompTox	DTXSID80233617

Synonyms

Auriclosene

NVC-422

Nvc-422

Status

Molecule Category

Free-form

UNII

BKR7Y95229

EPA CompTox

DTXSID80233617


InChI Key	QYNRGGHZWCUZLK-UHFFFAOYSA-N
Smiles	CC(C)(CS(=O)(=O)O)N(Cl)Cl
InChI	InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)

InChI Key

QYNRGGHZWCUZLK-UHFFFAOYSA-N

Smiles

CC(C)(CS(=O)(=O)O)N(Cl)Cl

InChI

InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)

Property Name	Value
Molecular Formula	C4H9Cl2NO3S
Molecular Weight	222.09
AlogP	1.26
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	57.61
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C4H9Cl2NO3S

Molecular Weight

222.09

AlogP

1.26

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

57.61

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

11.0

Resources	Reference
ChEMBL	CHEMBL1207907
DrugBank	DB12197
FDA SRS	BKR7Y95229
PubChem	11708365
SureChEMBL	SCHEMBL994601

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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

AURICLOSENE

Structure

Physicochemical Descriptors

Cross References