EcoDrugPlus


Synonyms	Naphthalene-2-Carboxylic Acid
Molecule Category	Free-form
UNII	QLG01V0W2L
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Naphthalene-2-Carboxylic Acid

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	UOBYKYZJUGYBDK-UHFFFAOYSA-N
Smiles	OC(=O)c1ccc2ccccc2c1
InChI	InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

InChI Key

UOBYKYZJUGYBDK-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc2ccccc2c1

InChI

InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

Property Name	Value
Molecular Formula	C11H8O2
Molecular Weight	172.18
AlogP	2.37
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	37.29
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H8O2

Molecular Weight

172.18

AlogP

2.37

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

37.29

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

13.0

Resources	Reference
ChEMBL	CHEMBL114648
FDA SRS	QLG01V0W2L
PDB	FIV
PubChem	7123
SureChEMBL	SCHEMBL98296

Resources

Reference

ChEMBL

FDA SRS

PDB

PubChem

SureChEMBL

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

BETA-NAPHTOIC ACID

Structure

Physicochemical Descriptors

Cross References