EcoDrugPlus


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

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	RUZFGJKXFPPZJN-UHFFFAOYSA-N
Smiles	ClC(=CNc1ccccc1)C=Nc1ccccc1
InChI	InChI=1S/C15H13ClN2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-12,17H

InChI Key

RUZFGJKXFPPZJN-UHFFFAOYSA-N

Smiles

ClC(=CNc1ccccc1)C=Nc1ccccc1

InChI

InChI=1S/C15H13ClN2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-12,17H

Property Name	Value
Molecular Formula	C15H13Cl1N2
Molecular Weight	256.08
AlogP	4.58
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	24.39
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H13Cl1N2

Molecular Weight

256.08

AlogP

4.58

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

24.39

Heavy Atoms

18.0

Resources	Reference
NORMAN SUSDAT
PubChem	4159885
ChemSpider	21822671.0

Resources

Reference

NORMAN SUSDAT

PubChem

4159885

ChemSpider

21822671.0

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-CHLORO-3-(PHENYLIMINO)PROP-1-EN-1-YL]ANILINE

Structure

Physicochemical Descriptors

Cross References