EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8605DD71BS
EPA CompTox	DTXSID0057700

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8605DD71BS

EPA CompTox

DTXSID0057700


InChI Key	YPPZCRZRQHFRBH-UHFFFAOYSA-N
Smiles	Oc1cccc2c1CCCC2=O
InChI	InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

InChI Key

YPPZCRZRQHFRBH-UHFFFAOYSA-N

Smiles

Oc1cccc2c1CCCC2=O

InChI

InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

Property Name	Value
Molecular Formula	C10H10O2
Molecular Weight	162.07
AlogP	1.91
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	37.3
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H10O2

Molecular Weight

162.07

AlogP

1.91

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

37.3

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	28315-93-7
NORMAN SUSDAT
FDA SRS	8605DD71BS
PubChem	119921
ChemSpider	87464.0

Resources

Reference

CAS NUMBER

28315-93-7

NORMAN SUSDAT

FDA SRS

8605DD71BS

PubChem

119921

ChemSpider

87464.0

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-TETRALONE

Structure

Physicochemical Descriptors

Cross References