EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z7KH4HJ8VE
EPA CompTox	DTXSID1062411

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z7KH4HJ8VE

EPA CompTox

DTXSID1062411


InChI Key	RAOZVFGTRXLBTA-UHFFFAOYSA-N
Smiles	CC1(C)COP(Cl)OC1
InChI	InChI=1S/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3

InChI Key

RAOZVFGTRXLBTA-UHFFFAOYSA-N

Smiles

CC1(C)COP(Cl)OC1

InChI

InChI=1S/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3

Property Name	Value
Molecular Formula	C5H10Cl1O2P1
Molecular Weight	168.01
AlogP	2.53
Hydrogen Bond Acceptor	2.0
Polar Surface Area	18.46
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H10Cl1O2P1

Molecular Weight

168.01

AlogP

2.53

Hydrogen Bond Acceptor

2.0

Polar Surface Area

18.46

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	2428-06-0
NORMAN SUSDAT
FDA SRS	Z7KH4HJ8VE
PubChem	75508
ChemSpider	68036.0

Resources

Reference

CAS NUMBER

2428-06-0

NORMAN SUSDAT

FDA SRS

Z7KH4HJ8VE

PubChem

75508

ChemSpider

68036.0

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-DIOXAPHOSPHORINANE, 2-CHLORO-5,5-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References