EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	7W631H5302
EPA CompTox	DTXSID3061184

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

7W631H5302

EPA CompTox

DTXSID3061184


InChI Key	NBYLBWHHTUWMER-UHFFFAOYSA-N
Smiles	Cc1ccc2cccc(O)c2n1
InChI	InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3

InChI Key

NBYLBWHHTUWMER-UHFFFAOYSA-N

Smiles

Cc1ccc2cccc(O)c2n1

InChI

InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3

Property Name	Value
Molecular Formula	C10H9N1O1
Molecular Weight	159.07
AlogP	2.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H9N1O1

Molecular Weight

159.07

AlogP

2.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	826-81-3
NORMAN SUSDAT
FDA SRS	7W631H5302
PubChem	13224
ChemSpider	12669.0

Resources

Reference

CAS NUMBER

826-81-3

NORMAN SUSDAT

FDA SRS

7W631H5302

PubChem

13224

ChemSpider

12669.0

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

8-QUINOLINOL, 2-METHYL-

Structure

Physicochemical Descriptors

Cross References