EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2CSF7A3A4J
EPA CompTox	DTXSID50219802

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2CSF7A3A4J

EPA CompTox

DTXSID50219802


InChI Key	WJNBLUOXTBTGMB-UHFFFAOYSA-N
Smiles	OC(=O)c1c2c(Cc3c2cccc3)ccc1
InChI	InChI=1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)

InChI Key

WJNBLUOXTBTGMB-UHFFFAOYSA-N

Smiles

OC(=O)c1c2c(Cc3c2cccc3)ccc1

InChI

InChI=1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)

Property Name	Value
Molecular Formula	C14H10O2
Molecular Weight	210.07
AlogP	2.96
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	37.3
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H10O2

Molecular Weight

210.07

AlogP

2.96

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

37.3

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	6954-55-8
NORMAN SUSDAT
FDA SRS	2CSF7A3A4J
PubChem	81402
ChemSpider	72677.0

Resources

Reference

CAS NUMBER

6954-55-8

NORMAN SUSDAT

FDA SRS

2CSF7A3A4J

PubChem

81402

ChemSpider

72677.0

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

FLUORENE-4-CARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References