EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7VK69492FV
EPA CompTox	DTXSID7049427

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7VK69492FV

EPA CompTox

DTXSID7049427


InChI Key	XGWFJBFNAQHLEF-UHFFFAOYSA-N
Smiles	OC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12
InChI	InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

InChI Key

XGWFJBFNAQHLEF-UHFFFAOYSA-N

Smiles

OC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12

InChI

InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

Property Name	Value
Molecular Formula	C15H10O2
Molecular Weight	222.07
AlogP	3.69
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	37.3
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H10O2

Molecular Weight

222.07

AlogP

3.69

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

37.3

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	723-62-6
NORMAN SUSDAT
FDA SRS	7VK69492FV
PubChem	2201
ChemSpider	2116.0

Resources

Reference

CAS NUMBER

723-62-6

NORMAN SUSDAT

FDA SRS

7VK69492FV

PubChem

2201

ChemSpider

2116.0

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

9-ANTHRACENECARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References