EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7UIQ2Z45N6
EPA CompTox	DTXSID5061409

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7UIQ2Z45N6

EPA CompTox

DTXSID5061409


InChI Key	VPDAGUVEZGEHJJ-UHFFFAOYSA-N
Smiles	OCCc1nc2c(cccc2)cc1
InChI	InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2

InChI Key

VPDAGUVEZGEHJJ-UHFFFAOYSA-N

Smiles

OCCc1nc2c(cccc2)cc1

InChI

InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2

Property Name	Value
Molecular Formula	C11H11N1O1
Molecular Weight	173.08
AlogP	1.77
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	33.12
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H11N1O1

Molecular Weight

173.08

AlogP

1.77

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

33.12

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	1011-50-3
NORMAN SUSDAT
FDA SRS	7UIQ2Z45N6
PubChem	70532
ChemSpider	63703.0

Resources

Reference

CAS NUMBER

1011-50-3

NORMAN SUSDAT

FDA SRS

7UIQ2Z45N6

PubChem

70532

ChemSpider

63703.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-QUINOLINEETHANOL

Structure

Physicochemical Descriptors

Cross References