EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7RQ1N54G12
EPA CompTox	DTXSID8049202

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7RQ1N54G12

EPA CompTox

DTXSID8049202


InChI Key	SHYBXXMECBHHFH-UHFFFAOYSA-N
Smiles	Clc1c2ccccc2c(C=O)c2ccccc12
InChI	InChI=1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H

InChI Key

SHYBXXMECBHHFH-UHFFFAOYSA-N

Smiles

Clc1c2ccccc2c(C=O)c2ccccc12

InChI

InChI=1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H

Property Name	Value
Molecular Formula	C15H9Cl1O1
Molecular Weight	240.03
AlogP	4.46
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	17.07
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H9Cl1O1

Molecular Weight

240.03

AlogP

4.46

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

17.07

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	10527-16-9
NORMAN SUSDAT
FDA SRS	7RQ1N54G12
PubChem	82703
ChemSpider	74633.0

Resources

Reference

CAS NUMBER

10527-16-9

NORMAN SUSDAT

FDA SRS

7RQ1N54G12

PubChem

82703

ChemSpider

74633.0

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

10-CHLORO-9-ANTHRALDEHYDE

Structure

Physicochemical Descriptors

Cross References