EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L3UJ78WT5A
EPA CompTox	DTXSID6061735

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L3UJ78WT5A

EPA CompTox

DTXSID6061735


InChI Key	KMWSGKPLIWNTEF-UHFFFAOYSA-N
Smiles	ClP1(=O)Oc2c(O1)cccc2
InChI	InChI=1S/C6H4ClO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H

InChI Key

KMWSGKPLIWNTEF-UHFFFAOYSA-N

Smiles

ClP1(=O)Oc2c(O1)cccc2

InChI

InChI=1S/C6H4ClO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H

Property Name	Value
Molecular Formula	C6H4Cl1O3P1
Molecular Weight	189.96
AlogP	2.8
Hydrogen Bond Acceptor	3.0
Polar Surface Area	35.53
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H4Cl1O3P1

Molecular Weight

189.96

AlogP

2.8

Hydrogen Bond Acceptor

3.0

Polar Surface Area

35.53

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	1499-17-8
NORMAN SUSDAT
FDA SRS	L3UJ78WT5A
PubChem	73909
ChemSpider	66542.0

Resources

Reference

CAS NUMBER

1499-17-8

NORMAN SUSDAT

FDA SRS

L3UJ78WT5A

PubChem

73909

ChemSpider

66542.0

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

1,3,2-BENZODIOXAPHOSPHOLE, 2-CHLORO-, 2-OXIDE

Structure

Physicochemical Descriptors

Cross References