EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0514QW7D2I
EPA CompTox	DTXSID00186595

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0514QW7D2I

EPA CompTox

DTXSID00186595


InChI Key	MHUXTOYYIDFXRF-UHFFFAOYSA-N
Smiles	Clc1cc2c(CCc3c(N2)cccc3)cc1
InChI	InChI=1S/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2

InChI Key

MHUXTOYYIDFXRF-UHFFFAOYSA-N

Smiles

Clc1cc2c(CCc3c(N2)cccc3)cc1

InChI

InChI=1S/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2

Property Name	Value
Molecular Formula	C14H12Cl1N1
Molecular Weight	229.07
AlogP	4.18
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H12Cl1N1

Molecular Weight

229.07

AlogP

4.18

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	32943-25-2
NORMAN SUSDAT
FDA SRS	0514QW7D2I
PubChem	118364
ChemSpider	105790.0

Resources

Reference

CAS NUMBER

32943-25-2

NORMAN SUSDAT

FDA SRS

0514QW7D2I

PubChem

118364

ChemSpider

105790.0

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-CHLOROIMINODIBENZYL

Structure

Physicochemical Descriptors

Cross References