EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3WNU6I1DZH
EPA CompTox	DTXSID3062653

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3WNU6I1DZH

EPA CompTox

DTXSID3062653


InChI Key	VYFYELQQECQPHU-UHFFFAOYSA-N
Smiles	Cc1nc2c([se]1)cccc2
InChI	InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChI Key

VYFYELQQECQPHU-UHFFFAOYSA-N

Smiles

Cc1nc2c([se]1)cccc2

InChI

InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

Property Name	Value
Molecular Formula	C8H7N1Se1
Molecular Weight	196.97
AlogP	1.6
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H7N1Se1

Molecular Weight

196.97

AlogP

1.6

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	2818-88-4
NORMAN SUSDAT
FDA SRS	3WNU6I1DZH
PubChem	17782
ChemSpider	16803.0

Resources

Reference

CAS NUMBER

2818-88-4

NORMAN SUSDAT

FDA SRS

3WNU6I1DZH

PubChem

17782

ChemSpider

16803.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZOSELENAZOLE, 2-METHYL-

Structure

Physicochemical Descriptors

Cross References