EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XF75J6Z7L4
EPA CompTox	DTXSID4063797

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XF75J6Z7L4

EPA CompTox

DTXSID4063797


InChI Key	FDNAQCWUERCJBK-UHFFFAOYSA-N
Smiles	NNC(=O)c1c(O)cc2ccccc2c1
InChI	InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)

InChI Key

FDNAQCWUERCJBK-UHFFFAOYSA-N

Smiles

NNC(=O)c1c(O)cc2ccccc2c1

InChI

InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)

Property Name	Value
Molecular Formula	C11H10N2O2
Molecular Weight	202.07
AlogP	1.72
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	78.84
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H10N2O2

Molecular Weight

202.07

AlogP

1.72

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

78.84

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5341-58-2
NORMAN SUSDAT
FDA SRS	XF75J6Z7L4
PubChem	72699
ChemSpider	65544.0

Resources

Reference

CAS NUMBER

5341-58-2

NORMAN SUSDAT

FDA SRS

XF75J6Z7L4

PubChem

72699

ChemSpider

65544.0

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-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-, HYDRAZIDE

Structure

Physicochemical Descriptors

Cross References