EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T3C3AS93E3
EPA CompTox	DTXSID50222159

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T3C3AS93E3

EPA CompTox

DTXSID50222159


InChI Key	XUVKSPPGPPFPQN-UHFFFAOYSA-N
Smiles	Cn1c2ccccc2c(=O)c2c1cccc2
InChI	InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3

InChI Key

XUVKSPPGPPFPQN-UHFFFAOYSA-N

Smiles

Cn1c2ccccc2c(=O)c2c1cccc2

InChI

InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3

Property Name	Value
Molecular Formula	C14H11N1O1
Molecular Weight	209.08
AlogP	2.69
Hydrogen Bond Acceptor	2.0
Polar Surface Area	22.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H11N1O1

Molecular Weight

209.08

AlogP

2.69

Hydrogen Bond Acceptor

2.0

Polar Surface Area

22.0

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	719-54-0
NORMAN SUSDAT
FDA SRS	T3C3AS93E3
PubChem	69751
ChemSpider	62950.0

Resources

Reference

CAS NUMBER

719-54-0

NORMAN SUSDAT

FDA SRS

T3C3AS93E3

PubChem

69751

ChemSpider

62950.0

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

10-METHYLACRIDIN-9(10H)-ONE

Structure

Physicochemical Descriptors

Cross References