EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70217966

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70217966


InChI Key	FNSUIQQZIUKGPW-UHFFFAOYSA-N
Smiles	Oc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl
InChI	InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-2-1-3-7(17)4-6/h1-5,17H

InChI Key

FNSUIQQZIUKGPW-UHFFFAOYSA-N

Smiles

Oc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl

InChI

InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-2-1-3-7(17)4-6/h1-5,17H

Property Name	Value
Molecular Formula	C12H6Cl4O1
Molecular Weight	305.92
AlogP	5.67
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	20.23
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H6Cl4O1

Molecular Weight

305.92

AlogP

5.67

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

20.23

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	67651-37-0
NORMAN SUSDAT
PubChem	171852
ChemSpider	150222.0

Resources

Reference

CAS NUMBER

67651-37-0

NORMAN SUSDAT

PubChem

171852

ChemSpider

150222.0

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

PHENOL, 3-(2,3,4,5-TETRACHLOROPHENYL)-

Structure

Physicochemical Descriptors

Cross References