EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	699W4BH6RD
EPA CompTox	DTXSID90239221

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

699W4BH6RD

EPA CompTox

DTXSID90239221


InChI Key	WSUYONLKFXZZRV-UHFFFAOYSA-N
Smiles	[Cl-].[NH3+]c1cc2c(cccc2O)cc1
InChI	InChI=1S/C10H9NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,12H,11H2

InChI Key

WSUYONLKFXZZRV-UHFFFAOYSA-N

Smiles

[Cl-].[NH3+]c1cc2c(cccc2O)cc1

InChI

InChI=1S/C10H9NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/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	93-36-7
NORMAN SUSDAT
FDA SRS	699W4BH6RD
PubChem	66732
ChemSpider	60098.0

Resources

Reference

CAS NUMBER

93-36-7

NORMAN SUSDAT

FDA SRS

699W4BH6RD

PubChem

66732

ChemSpider

60098.0

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-7-NAPHTHOL

Structure

Physicochemical Descriptors

Cross References