EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q2S3LRG4YH
EPA CompTox	DTXSID00199089

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q2S3LRG4YH

EPA CompTox

DTXSID00199089


InChI Key	WNGPRJOWLUNBCE-UHFFFAOYSA-N
Smiles	Oc1cc2c([nH]c3c2CCNC3=O)cc1
InChI	InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)

InChI Key

WNGPRJOWLUNBCE-UHFFFAOYSA-N

Smiles

Oc1cc2c([nH]c3c2CCNC3=O)cc1

InChI

InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)

Property Name	Value
Molecular Formula	C11H10N2O2
Molecular Weight	202.07
AlogP	1.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Polar Surface Area	65.12
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H10N2O2

Molecular Weight

202.07

AlogP

1.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Polar Surface Area

65.12

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	51085-95-1
NORMAN SUSDAT
FDA SRS	Q2S3LRG4YH
PubChem	6452337
ChemSpider	4954772.0

Resources

Reference

CAS NUMBER

51085-95-1

NORMAN SUSDAT

FDA SRS

Q2S3LRG4YH

PubChem

6452337

ChemSpider

4954772.0

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

2,3,4,9-TETRAHYDRO-6-HYDROXY-1H-PYRIDO(3,4-B)INDOL-1-ONE

Structure

Physicochemical Descriptors

Cross References