EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	29BKE27D17
EPA CompTox	DTXSID80202520

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

29BKE27D17

EPA CompTox

DTXSID80202520


InChI Key	ZHVPTERSBUMMHK-UHFFFAOYSA-N
Smiles	Nc1c(O)cc2ccccc2c1
InChI	InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2

InChI Key

ZHVPTERSBUMMHK-UHFFFAOYSA-N

Smiles

Nc1c(O)cc2ccccc2c1

InChI

InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2

Property Name	Value
Molecular Formula	C10H9N1O1
Molecular Weight	159.07
AlogP	2.13
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H9N1O1

Molecular Weight

159.07

AlogP

2.13

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	5417-63-0
NORMAN SUSDAT
FDA SRS	29BKE27D17
PubChem	79449
ChemSpider	71766.0

Resources

Reference

CAS NUMBER

5417-63-0

NORMAN SUSDAT

FDA SRS

29BKE27D17

PubChem

79449

ChemSpider

71766.0

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-AMINO-3-HYDROXYNAPHTHALENE

Structure

Physicochemical Descriptors

Cross References