EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L6JFM786FB
EPA CompTox	DTXSID40171086

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L6JFM786FB

EPA CompTox

DTXSID40171086


InChI Key	HOYZEVWRZVPHEL-UHFFFAOYSA-N
Smiles	OC1=CC=CC2=CC=3C=CC=CC3N=C12
InChI	InChI=1/C13H9NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8,15H

InChI Key

HOYZEVWRZVPHEL-UHFFFAOYSA-N

Smiles

OC1=CC=CC2=CC=3C=CC=CC3N=C12

InChI

InChI=1/C13H9NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8,15H

Property Name	Value
Molecular Formula	C13H9NO
Molecular Weight	195.07
AlogP	3.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H9NO

Molecular Weight

195.07

AlogP

3.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	18123-20-1
NORMAN SUSDAT
FDA SRS	L6JFM786FB
PubChem	87462

Resources

Reference

CAS NUMBER

18123-20-1

NORMAN SUSDAT

FDA SRS

L6JFM786FB

PubChem

87462

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

ACRIDIN-4-OL

Structure

Physicochemical Descriptors

Cross References