EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q5U8CT8G8Y
EPA CompTox	DTXSID10223228

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q5U8CT8G8Y

EPA CompTox

DTXSID10223228


InChI Key	YAHLWSGIQJATGG-UHFFFAOYSA-N
Smiles	OC(=O)C1(CC1)c1ccc(Cl)cc1
InChI	InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

InChI Key

YAHLWSGIQJATGG-UHFFFAOYSA-N

Smiles

OC(=O)C1(CC1)c1ccc(Cl)cc1

InChI

InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)

Property Name	Value
Molecular Formula	C10H9Cl1O2
Molecular Weight	196.03
AlogP	2.46
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	37.3
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H9Cl1O2

Molecular Weight

196.03

AlogP

2.46

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

37.3

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	72934-37-3
NORMAN SUSDAT
FDA SRS	Q5U8CT8G8Y
PubChem	98606
ChemSpider	89051.0

Resources

Reference

CAS NUMBER

72934-37-3

NORMAN SUSDAT

FDA SRS

Q5U8CT8G8Y

PubChem

98606

ChemSpider

89051.0

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

1-(P-CHLOROPHENYL)CYCLOPROPANECARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References