EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30200379

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30200379


InChI Key	DYVLWMXLCDYPKG-UHFFFAOYSA-N
Smiles	CCCn1c(Cl)c(CC)c(=O)n(CC)c1=O
InChI	InChI=1S/C11H17ClN2O2/c1-4-7-14-9(12)8(5-2)10(15)13(6-3)11(14)16/h4-7H2,1-3H3

InChI Key

DYVLWMXLCDYPKG-UHFFFAOYSA-N

Smiles

CCCn1c(Cl)c(CC)c(=O)n(CC)c1=O

InChI

InChI=1S/C11H17ClN2O2/c1-4-7-14-9(12)8(5-2)10(15)13(6-3)11(14)16/h4-7H2,1-3H3

Property Name	Value
Molecular Formula	C11H17Cl1N2O2
Molecular Weight	244.1
AlogP	1.66
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	44.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H17Cl1N2O2

Molecular Weight

244.1

AlogP

1.66

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

44.0

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	52357-17-2
NORMAN SUSDAT
PubChem	148584
ChemSpider	130978.0

Resources

Reference

CAS NUMBER

52357-17-2

NORMAN SUSDAT

PubChem

148584

ChemSpider

130978.0

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-PROPYL-3,5-DIETHYL-6-CHLOROURACIL

Structure

Physicochemical Descriptors

Cross References