EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DWG5LE6Q8X
EPA CompTox	DTXSID30151216

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DWG5LE6Q8X

EPA CompTox

DTXSID30151216


InChI Key	IQKSLJOIKWOGIZ-UHFFFAOYSA-N
Smiles	Clc1ccc(cc1)P(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI	InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

InChI Key

IQKSLJOIKWOGIZ-UHFFFAOYSA-N

Smiles

Clc1ccc(cc1)P(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI

InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

Property Name	Value
Molecular Formula	C18H12Cl3P1
Molecular Weight	363.97
AlogP	5.41
Number of Rotational Bond	3.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H12Cl3P1

Molecular Weight

363.97

AlogP

5.41

Number of Rotational Bond

3.0

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	1159-54-2
NORMAN SUSDAT
FDA SRS	DWG5LE6Q8X
PubChem	70874
ChemSpider	64037.0

Resources

Reference

CAS NUMBER

1159-54-2

NORMAN SUSDAT

FDA SRS

DWG5LE6Q8X

PubChem

70874

ChemSpider

64037.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TRIS(4-CHLOROPHENYL)PHOSPHINE

Structure

Physicochemical Descriptors

Cross References