EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CVC57MN72D
EPA CompTox	DTXSID1051777

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CVC57MN72D

EPA CompTox

DTXSID1051777


InChI Key	IYFMQUDCYNWFTL-UHFFFAOYSA-N
Smiles	ClCC(Cl)(Cl)C(Cl)Cl
InChI	InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2

InChI Key

IYFMQUDCYNWFTL-UHFFFAOYSA-N

Smiles

ClCC(Cl)(Cl)C(Cl)Cl

InChI

InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2

Property Name	Value
Molecular Formula	C3H3Cl5
Molecular Weight	213.87
AlogP	3.2
Number of Rotational Bond	2.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H3Cl5

Molecular Weight

213.87

AlogP

3.2

Number of Rotational Bond

2.0

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	16714-68-4
NORMAN SUSDAT
FDA SRS	CVC57MN72D
PubChem	85562
ChemSpider	77166.0

Resources

Reference

CAS NUMBER

16714-68-4

NORMAN SUSDAT

FDA SRS

CVC57MN72D

PubChem

85562

ChemSpider

77166.0

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

1,1,2,2,3-PENTACHLOROPROPANE

Structure

Physicochemical Descriptors

Cross References