EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QN8RGZ4ML2
EPA CompTox	DTXSID2033863

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QN8RGZ4ML2

EPA CompTox

DTXSID2033863


InChI Key	WEERVPDNCOGWJF-UHFFFAOYSA-N
Smiles	C=Cc1ccc(C=C)cc1
InChI	InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2

InChI Key

WEERVPDNCOGWJF-UHFFFAOYSA-N

Smiles

C=Cc1ccc(C=C)cc1

InChI

InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2

Property Name	Value
Molecular Formula	C10H10
Molecular Weight	130.08
AlogP	2.97
Number of Rotational Bond	2.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C10H10

Molecular Weight

130.08

AlogP

2.97

Number of Rotational Bond

2.0

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	105-06-6
NORMAN SUSDAT
FDA SRS	QN8RGZ4ML2
PubChem	66041
ChemSpider	59432.0

Resources

Reference

CAS NUMBER

105-06-6

NORMAN SUSDAT

FDA SRS

QN8RGZ4ML2

PubChem

66041

ChemSpider

59432.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

1,4-DIVINYLBENZENE

Structure

Physicochemical Descriptors

Cross References