EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6R4KXE34TW
EPA CompTox	DTXSID10174302

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6R4KXE34TW

EPA CompTox

DTXSID10174302


InChI Key	BUBRFWDEAVIFMV-UHFFFAOYSA-N
Smiles	Clc1ccc(nn1)c1ccccc1
InChI	InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H

InChI Key

BUBRFWDEAVIFMV-UHFFFAOYSA-N

Smiles

Clc1ccc(nn1)c1ccccc1

InChI

InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H

Property Name	Value
Molecular Formula	C10H7Cl1N2
Molecular Weight	190.03
AlogP	2.8
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	25.78
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H7Cl1N2

Molecular Weight

190.03

AlogP

2.8

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

25.78

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	20375-65-9
NORMAN SUSDAT
FDA SRS	6R4KXE34TW
PubChem	88515
ChemSpider	79866.0

Resources

Reference

CAS NUMBER

20375-65-9

NORMAN SUSDAT

FDA SRS

6R4KXE34TW

PubChem

88515

ChemSpider

79866.0

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

3-CHLORO-6-PHENYLPYRIDAZINE

Structure

Physicochemical Descriptors

Cross References