EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	09N8O50V91
EPA CompTox	DTXSID101020626

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

09N8O50V91

EPA CompTox

DTXSID101020626


InChI Key	UVEWQKMPXAHFST-UHFFFAOYSA-N
Smiles	N(=CC=1C=CC=CC1)C=2C=CC=CC2
InChI	InChI=1/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H

InChI Key

UVEWQKMPXAHFST-UHFFFAOYSA-N

Smiles

N(=CC=1C=CC=CC1)C=2C=CC=CC2

InChI

InChI=1/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H

Property Name	Value
Molecular Formula	C13H11N
Molecular Weight	181.09
AlogP	3.44
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.36
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H11N

Molecular Weight

181.09

AlogP

3.44

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.36

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1750-36-3
NORMAN SUSDAT
FDA SRS	09N8O50V91
PubChem	10858

Resources

Reference

CAS NUMBER

1750-36-3

NORMAN SUSDAT

FDA SRS

09N8O50V91

PubChem

10858

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZYLIDENEANILINE

Structure

Physicochemical Descriptors

Cross References