EcoDrugPlus


Synonyms	Arasertaconazole Sertaconazole, (r)-
Status
Molecule Category	Free-form
UNII	PR82C5R514
EPA CompTox	DTXSID00207032


InChI Key	JLGKQTAYUIMGRK-IBGZPJMESA-N
Smiles	Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
InChI	InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1

Property Name	Value
Molecular Formula	C20H15Cl3N2OS
Molecular Weight	437.78
AlogP	7.02
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	27.05
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Resources	Reference
ChEBI	83685
ChEMBL	CHEMBL1410877
FDA SRS	PR82C5R514
PubChem	6604451
SureChEMBL	SCHEMBL4356263
ZINC	ZINC000002016037

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

ARASERTACONAZOLE

Structure

Physicochemical Descriptors

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