EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID40975147

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID40975147


InChI Key	GNNZRRLNINDIJQ-UHFFFAOYSA-N
Smiles	Cl.CC(=O)Nc1cccc(N)c1
InChI	InChI=1S/C8H10N2O.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5,9H2,(H2,10,11);1H

InChI Key

GNNZRRLNINDIJQ-UHFFFAOYSA-N

Smiles

Cl.CC(=O)Nc1cccc(N)c1

InChI

InChI=1S/C8H10N2O.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5,9H2,(H2,10,11);1H

Property Name	Value
Molecular Formula	C8H11ClN2O
Molecular Weight	186.06
AlogP	1.77
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	70.1
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H11ClN2O

Molecular Weight

186.06

AlogP

1.77

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

70.1

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	59736-00-4
NORMAN SUSDAT
PubChem	108822
ChemSpider	97860.0

Resources

Reference

CAS NUMBER

59736-00-4

NORMAN SUSDAT

PubChem

108822

ChemSpider

97860.0

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

2-(3-AMINOPHENYL)ETHANIMIDIC ACID--HYDROGEN CHLORIDE (1/1)

Structure

Physicochemical Descriptors

Cross References