EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2L2063955H
EPA CompTox	DTXSID70863220

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2L2063955H

EPA CompTox

DTXSID70863220


InChI Key	KBFBRIPYVVGWRS-UHFFFAOYSA-N
Smiles	ClC1=CC=C(C=C1)C(O)C=2OC=3C=CC=CC3C2
InChI	InChI=1/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H

InChI Key

KBFBRIPYVVGWRS-UHFFFAOYSA-N

Smiles

ClC1=CC=C(C=C1)C(O)C=2OC=3C=CC=CC3C2

InChI

InChI=1/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H

Property Name	Value
Molecular Formula	C15H11ClO2
Molecular Weight	258.04
AlogP	4.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	33.37
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H11ClO2

Molecular Weight

258.04

AlogP

4.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

33.37

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	3611-72-1
NORMAN SUSDAT
FDA SRS	2L2063955H
PubChem	71132

Resources

Reference

CAS NUMBER

3611-72-1

NORMAN SUSDAT

FDA SRS

2L2063955H

PubChem

71132

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

CLORIDAROL

Structure

Physicochemical Descriptors

Cross References