EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L8ST3Y4RMW
EPA CompTox	DTXSID50184187

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L8ST3Y4RMW

EPA CompTox

DTXSID50184187


InChI Key	BPFKTJMHOWDJKI-UHFFFAOYSA-N
Smiles	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI	InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H

InChI Key

BPFKTJMHOWDJKI-UHFFFAOYSA-N

Smiles

OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI

InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H

Property Name	Value
Molecular Formula	C19H13Cl3O1
Molecular Weight	362.0
AlogP	5.93
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	20.23
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H13Cl3O1

Molecular Weight

362.0

AlogP

5.93

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

20.23

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	3010-80-8
NORMAN SUSDAT
FDA SRS	L8ST3Y4RMW
PubChem	76379
ChemSpider	68855.0

Resources

Reference

CAS NUMBER

3010-80-8

NORMAN SUSDAT

FDA SRS

L8ST3Y4RMW

PubChem

76379

ChemSpider

68855.0

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

TRIS(4-CHLOROPHENYL)METHANOL

Structure

Physicochemical Descriptors

Cross References