EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1070357

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1070357


InChI Key	ZSAFSOKZRQIORD-UHFFFAOYSA-N
Smiles	OC1=CC=2N=C(C(=NC2C=C1C)C)C
InChI	InChI=1/C11H12N2O/c1-6-4-9-10(5-11(6)14)13-8(3)7(2)12-9/h4-5,14H,1-3H3

InChI Key

ZSAFSOKZRQIORD-UHFFFAOYSA-N

Smiles

OC1=CC=2N=C(C(=NC2C=C1C)C)C

InChI

InChI=1/C11H12N2O/c1-6-4-9-10(5-11(6)14)13-8(3)7(2)12-9/h4-5,14H,1-3H3

Property Name	Value
Molecular Formula	C11H12N2O
Molecular Weight	188.09
AlogP	2.26
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.01
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H12N2O

Molecular Weight

188.09

AlogP

2.26

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.01

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	65833-67-2
NORMAN SUSDAT
PubChem	135562694

Resources

Reference

CAS NUMBER

65833-67-2

NORMAN SUSDAT

PubChem

135562694

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

2,3,7-TRIMETHYLQUINOXALIN-6-OL

Structure

Physicochemical Descriptors

Cross References