EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DMH3M2MT6S
EPA CompTox	DTXSID40209515

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DMH3M2MT6S

EPA CompTox

DTXSID40209515


InChI Key	NWINIEGDLHHNLH-UHFFFAOYSA-N
Smiles	Cc1cc(=O)c2ccccc2[nH]1
InChI	InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)

InChI Key

NWINIEGDLHHNLH-UHFFFAOYSA-N

Smiles

Cc1cc(=O)c2ccccc2[nH]1

InChI

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

Property Name	Value
Molecular Formula	C10H9N1O1
Molecular Weight	159.07
AlogP	1.84
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	32.86
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H9N1O1

Molecular Weight

159.07

AlogP

1.84

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

32.86

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	607-67-0
NORMAN SUSDAT
FDA SRS	DMH3M2MT6S
PubChem	69089
ChemSpider	62307.0

Resources

Reference

CAS NUMBER

607-67-0

NORMAN SUSDAT

FDA SRS

DMH3M2MT6S

PubChem

69089

ChemSpider

62307.0

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-METHYLQUINOLIN-4-OL

Structure

Physicochemical Descriptors

Cross References