EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MM9WQ3B2N6
EPA CompTox	DTXSID10169011

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MM9WQ3B2N6

EPA CompTox

DTXSID10169011


InChI Key	RUQIUASLAXJZIE-UHFFFAOYSA-N
Smiles	COc1cccc(c1)C(=O)Cl
InChI	InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChI Key

RUQIUASLAXJZIE-UHFFFAOYSA-N

Smiles

COc1cccc(c1)C(=O)Cl

InChI

InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

Property Name	Value
Molecular Formula	C8H7Cl1O2
Molecular Weight	170.01
AlogP	2.07
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H7Cl1O2

Molecular Weight

170.01

AlogP

2.07

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	1711-05-3
NORMAN SUSDAT
FDA SRS	MM9WQ3B2N6
PubChem	74374
ChemSpider	66966.0

Resources

Reference

CAS NUMBER

1711-05-3

NORMAN SUSDAT

FDA SRS

MM9WQ3B2N6

PubChem

74374

ChemSpider

66966.0

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

M-ANISOYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References