EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1065926

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1065926


InChI Key	DDVFOLVGRBHZJB-UHFFFAOYSA-N
Smiles	Clc1cccc2c1[nH]c1c(Cc3c(C1)c(=O)c1cccc(Cl)c1[nH]3)c2=O
InChI	InChI=1S/C20H12Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-6H,7-8H2,(H,23,25)(H,24,26)

InChI Key

DDVFOLVGRBHZJB-UHFFFAOYSA-N

Smiles

Clc1cccc2c1[nH]c1c(Cc3c(C1)c(=O)c1cccc(Cl)c1[nH]3)c2=O

InChI

InChI=1S/C20H12Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-6H,7-8H2,(H,23,25)(H,24,26)

Property Name	Value
Molecular Formula	C20H12Cl2N2O2
Molecular Weight	382.03
AlogP	4.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	65.72
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C20H12Cl2N2O2

Molecular Weight

382.03

AlogP

4.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

65.72

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	15715-19-2
NORMAN SUSDAT
PubChem	85062
ChemSpider	76726.0

Resources

Reference

CAS NUMBER

15715-19-2

NORMAN SUSDAT

PubChem

85062

ChemSpider

76726.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

QUINO[2,3-B]ACRIDINE-7,14-DIONE, 4,11-DICHLORO-5,6,12,13-TETRAHYDRO-

Structure

Physicochemical Descriptors

Cross References