EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W6NDW6A6SC
EPA CompTox	DTXSID3075096

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W6NDW6A6SC

EPA CompTox

DTXSID3075096


InChI Key	WYLQARGYFXBZMD-UHFFFAOYSA-N
Smiles	CN(C)P(=O)(Cl)N(C)C
InChI	InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3

InChI Key

WYLQARGYFXBZMD-UHFFFAOYSA-N

Smiles

CN(C)P(=O)(Cl)N(C)C

InChI

InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3

Property Name	Value
Molecular Formula	C4H12Cl1N2O1P1
Molecular Weight	170.04
AlogP	1.46
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	23.55
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H12Cl1N2O1P1

Molecular Weight

170.04

AlogP

1.46

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

23.55

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1605-65-8
NORMAN SUSDAT
FDA SRS	W6NDW6A6SC
PubChem	74150
ChemSpider	66761.0

Resources

Reference

CAS NUMBER

1605-65-8

NORMAN SUSDAT

FDA SRS

W6NDW6A6SC

PubChem

74150

ChemSpider

66761.0

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

PHOSPHORODIAMIDIC CHLORIDE, TETRAMETHYL-

Structure

Physicochemical Descriptors

Cross References