EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3AR33UX92C
EPA CompTox	DTXSID30179112

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3AR33UX92C

EPA CompTox

DTXSID30179112


InChI Key	NYYMNZLORMNCKK-UHFFFAOYSA-N
Smiles	OC(=O)c1c2cccc(O)c2ccc1
InChI	InChI=1S/C11H8O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6,12H,(H,13,14)

InChI Key

NYYMNZLORMNCKK-UHFFFAOYSA-N

Smiles

OC(=O)c1c2cccc(O)c2ccc1

InChI

InChI=1S/C11H8O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6,12H,(H,13,14)

Property Name	Value
Molecular Formula	C11H8O3
Molecular Weight	188.05
AlogP	2.24
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	57.53
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H8O3

Molecular Weight

188.05

AlogP

2.24

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

57.53

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	2437-16-3
NORMAN SUSDAT
FDA SRS	3AR33UX92C
PubChem	75531
ChemSpider	68057.0

Resources

Reference

CAS NUMBER

2437-16-3

NORMAN SUSDAT

FDA SRS

3AR33UX92C

PubChem

75531

ChemSpider

68057.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

5-HYDROXY-1-NAPHTHOIC ACID

Structure

Physicochemical Descriptors

Cross References