EcoDrugPlus


Keyword(s):	Plastic additives ; Persistent mobile and Toxic Substances ; Food Contact Chemicals
Molecule Category	Free-form
UNII	88Z4HUV8LI
EPA CompTox	DTXSID701030982

Keyword(s):

Plastic additives ; Persistent mobile and Toxic Substances ; Food Contact Chemicals

Molecule Category

Free-form

UNII

88Z4HUV8LI

EPA CompTox

DTXSID701030982


InChI Key	HECLRDQVFMWTQS-UHFFFAOYSA-N
Smiles	C1C=CC2C3CC(C=C3)C12
InChI	InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2

InChI Key

HECLRDQVFMWTQS-UHFFFAOYSA-N

Smiles

C1C=CC2C3CC(C=C3)C12

InChI

InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2

Property Name	Value
Molecular Formula	C10H12
Molecular Weight	132.09
AlogP	2.38
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C10H12

Molecular Weight

132.09

AlogP

2.38

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1755-01-7
NORMAN SUSDAT
FDA SRS	88Z4HUV8LI
PubChem	6492
ChemSpider	6247.0

Resources

Reference

CAS NUMBER

1755-01-7

NORMAN SUSDAT

FDA SRS

88Z4HUV8LI

PubChem

6492

ChemSpider

6247.0

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

DICYCLOPENTADIENE

Structure

Physicochemical Descriptors

Cross References