EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90202531

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90202531


InChI Key	QIIOQYAACVZBNH-UHFFFAOYSA-N
Smiles	ClCCNC(=O)NC(C1CC1)C1CC1
InChI	InChI=1S/C10H17ClN2O/c11-5-6-12-10(14)13-9(7-1-2-7)8-3-4-8/h7-9H,1-6H2,(H2,12,13,14)

InChI Key

QIIOQYAACVZBNH-UHFFFAOYSA-N

Smiles

ClCCNC(=O)NC(C1CC1)C1CC1

InChI

InChI=1S/C10H17ClN2O/c11-5-6-12-10(14)13-9(7-1-2-7)8-3-4-8/h7-9H,1-6H2,(H2,12,13,14)

Property Name	Value
Molecular Formula	C10H17Cl1N2O1
Molecular Weight	216.1
AlogP	1.92
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	44.62
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H17Cl1N2O1

Molecular Weight

216.1

AlogP

1.92

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

44.62

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	54187-03-0
NORMAN SUSDAT
PubChem	98826
ChemSpider	19613.0

Resources

Reference

CAS NUMBER

54187-03-0

NORMAN SUSDAT

PubChem

98826

ChemSpider

19613.0

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

UREA, 1-(2-CHLOROETHYL)-3-(DICYCLOPROPYLMETHYL)-

Structure

Physicochemical Descriptors

Cross References