EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90793838

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90793838


InChI Key	KIALAYFXXWVUPQ-UHFFFAOYSA-N
Smiles	OC(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccccc1Cl
InChI	InChI=1S/C16H13Cl2NO3/c17-11-7-5-10(6-8-11)15(16(22)19-9-14(20)21)12-3-1-2-4-13(12)18/h1-8,15H,9H2,(H,19,22)(H,20,21)

InChI Key

KIALAYFXXWVUPQ-UHFFFAOYSA-N

Smiles

OC(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccccc1Cl

InChI

InChI=1S/C16H13Cl2NO3/c17-11-7-5-10(6-8-11)15(16(22)19-9-14(20)21)12-3-1-2-4-13(12)18/h1-8,15H,9H2,(H,19,22)(H,20,21)

Property Name	Value
Molecular Formula	C16H13Cl2N1O3
Molecular Weight	337.03
AlogP	4.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	69.89
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C16H13Cl2N1O3

Molecular Weight

337.03

AlogP

4.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

69.89

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	65148-83-6
NORMAN SUSDAT
PubChem	71370877
ChemSpider	57490036.0

Resources

Reference

CAS NUMBER

65148-83-6

NORMAN SUSDAT

PubChem

71370877

ChemSpider

57490036.0

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

N-[(2-CHLOROPHENYL)(4-CHLOROPHENYL)ACETYL]GLYCINE

Structure

Physicochemical Descriptors

Cross References