EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CC76L36RRD
EPA CompTox	DTXSID30233228

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CC76L36RRD

EPA CompTox

DTXSID30233228


InChI Key	DHOBCUSQSGBXCT-UHFFFAOYSA-N
Smiles	Clc1cc(Cl)c(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
InChI	InChI=1S/C18H12Cl2N2O2/c19-12-8-9-15(16(20)10-12)18(24)22-21-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,21,23)(H,22,24)

InChI Key

DHOBCUSQSGBXCT-UHFFFAOYSA-N

Smiles

Clc1cc(Cl)c(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1

InChI

InChI=1S/C18H12Cl2N2O2/c19-12-8-9-15(16(20)10-12)18(24)22-21-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,21,23)(H,22,24)

Property Name	Value
Molecular Formula	C18H12Cl2N2O2
Molecular Weight	358.03
AlogP	5.37
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	65.18
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H12Cl2N2O2

Molecular Weight

358.03

AlogP

5.37

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

65.18

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	84282-10-0
NORMAN SUSDAT
FDA SRS	CC76L36RRD
PubChem	72701
ChemSpider	65546.0

Resources

Reference

CAS NUMBER

84282-10-0

NORMAN SUSDAT

FDA SRS

CC76L36RRD

PubChem

72701

ChemSpider

65546.0

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...

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Last update: Monday, 3 November 2025

2'-(2,4-DICHLOROBENZOYL)-1-NAPHTHOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References