EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K8ZP002FC9
EPA CompTox	DTXSID8062022

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K8ZP002FC9

EPA CompTox

DTXSID8062022


InChI Key	GSCZNYAHWDLULJ-UHFFFAOYSA-N
Smiles	On1c(cc2c1cccc2)c1ccccc1
InChI	InChI=1S/C14H11NO/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10,16H

InChI Key

GSCZNYAHWDLULJ-UHFFFAOYSA-N

Smiles

On1c(cc2c1cccc2)c1ccccc1

InChI

InChI=1S/C14H11NO/c16-15-13-9-5-4-8-12(13)10-14(15)11-6-2-1-3-7-11/h1-10,16H

Property Name	Value
Molecular Formula	C14H11N1O1
Molecular Weight	209.08
AlogP	3.55
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	25.16
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H11N1O1

Molecular Weight

209.08

AlogP

3.55

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

25.16

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1859-39-8
NORMAN SUSDAT
FDA SRS	K8ZP002FC9
PubChem	74621
ChemSpider	67196.0

Resources

Reference

CAS NUMBER

1859-39-8

NORMAN SUSDAT

FDA SRS

K8ZP002FC9

PubChem

74621

ChemSpider

67196.0

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

1H-INDOLE, 1-HYDROXY-2-PHENYL-

Structure

Physicochemical Descriptors

Cross References