EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LHP8NEY345
EPA CompTox	DTXSID7021784

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LHP8NEY345

EPA CompTox

DTXSID7021784


InChI Key	WKEDVNSFRWHDNR-UHFFFAOYSA-N
Smiles	Oc1ccccc1C(=O)Nc1ccccc1
InChI	InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)

InChI Key

WKEDVNSFRWHDNR-UHFFFAOYSA-N

Smiles

Oc1ccccc1C(=O)Nc1ccccc1

InChI

InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)

Property Name	Value
Molecular Formula	C13H11N1O2
Molecular Weight	213.08
AlogP	3.03
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	52.82
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H11N1O2

Molecular Weight

213.08

AlogP

3.03

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

52.82

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	87-17-2
NORMAN SUSDAT
FDA SRS	LHP8NEY345
PubChem	6872
ChemSpider	6610.0

Resources

Reference

CAS NUMBER

87-17-2

NORMAN SUSDAT

FDA SRS

LHP8NEY345

PubChem

6872

ChemSpider

6610.0

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...

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

Last update: Monday, 3 November 2025

SALICYLANILIDE

Structure

Physicochemical Descriptors

Cross References