EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5GP30GY04V
EPA CompTox	DTXSID50164424

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5GP30GY04V

EPA CompTox

DTXSID50164424


InChI Key	QPQGTZMAQRXCJW-UHFFFAOYSA-N
Smiles	ClP(=O)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

QPQGTZMAQRXCJW-UHFFFAOYSA-N

Smiles

ClP(=O)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Property Name	Value
Molecular Formula	C12H10Cl1O1P1
Molecular Weight	236.02
AlogP	3.15
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H10Cl1O1P1

Molecular Weight

236.02

AlogP

3.15

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1499-21-4
NORMAN SUSDAT
FDA SRS	5GP30GY04V
PubChem	73910
ChemSpider	59567.0

Resources

Reference

CAS NUMBER

1499-21-4

NORMAN SUSDAT

FDA SRS

5GP30GY04V

PubChem

73910

ChemSpider

59567.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

DIPHENYLPHOSPHINIC CHLORIDE

Structure

Physicochemical Descriptors

Cross References