EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20908913

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20908913


InChI Key	DENMIBABNWPFEG-UHFFFAOYSA-N
Smiles	O1CC1C2=CC=C(C=C)C=C2
InChI	InChI=1/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2

InChI Key

DENMIBABNWPFEG-UHFFFAOYSA-N

Smiles

O1CC1C2=CC=C(C=C)C=C2

InChI

InChI=1/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2

Property Name	Value
Molecular Formula	C10H10O
Molecular Weight	146.07
AlogP	2.4
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	12.53
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H10O

Molecular Weight

146.07

AlogP

2.4

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

12.53

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	10431-61-5
NORMAN SUSDAT
PubChem	112040

Resources

Reference

CAS NUMBER

10431-61-5

NORMAN SUSDAT

PubChem

112040

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

P-(EPOXYETHYL)STYRENE

Structure

Physicochemical Descriptors

Cross References