EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Free-form
EPA CompTox	DTXSID00208761

Keyword(s):

Human Neurotoxin

Molecule Category

Free-form

EPA CompTox

DTXSID00208761


InChI Key	CMSMOCZEIVJLDB-CQSZACIVSA-N
Smiles	O=[P@]1(N(CCCl)CCCl)NCCCO1
InChI	InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1

InChI Key

CMSMOCZEIVJLDB-CQSZACIVSA-N

Smiles

O=[P@]1(N(CCCl)CCCl)NCCCO1

InChI

InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/t14-/m1/s1

Property Name	Value
Molecular Formula	C7H15Cl2N2O2P
Molecular Weight	260.02
AlogP	1.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	41.57
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H15Cl2N2O2P

Molecular Weight

260.02

AlogP

1.88

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

41.57

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	60030-72-0
NORMAN SUSDAT
PubChem	9554282

Resources

Reference

CAS NUMBER

60030-72-0

NORMAN SUSDAT

PubChem

9554282

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

2H-1,3,2-OXAZAPHOSPHORIN-2-AMINE, N,N-BIS(2-CHLOROETHYL)TETRAHYDRO-, 2-OXIDE, (R)-

Structure

Physicochemical Descriptors

Cross References