EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	466PKO4UBM
EPA CompTox	DTXSID70165650

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

466PKO4UBM

EPA CompTox

DTXSID70165650


InChI Key	ZXZKYYHTWHJHFT-UHFFFAOYSA-N
Smiles	Oc1cccc2c1[nH]c(=O)cc2
InChI	InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)

InChI Key

ZXZKYYHTWHJHFT-UHFFFAOYSA-N

Smiles

Oc1cccc2c1[nH]c(=O)cc2

InChI

InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)

Property Name	Value
Molecular Formula	C9H7N1O2
Molecular Weight	161.05
AlogP	1.65
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	53.35
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H7N1O2

Molecular Weight

161.05

AlogP

1.65

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

53.35

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	15450-76-7
NORMAN SUSDAT
FDA SRS	466PKO4UBM
PubChem	97250
ChemSpider	87777.0

Resources

Reference

CAS NUMBER

15450-76-7

NORMAN SUSDAT

FDA SRS

466PKO4UBM

PubChem

97250

ChemSpider

87777.0

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

2,8-DIHYDROXYQUINOLINE

Structure

Physicochemical Descriptors

Cross References