EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	5DFH9434HF
EPA CompTox	DTXSID0027191

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

5DFH9434HF

EPA CompTox

DTXSID0027191


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ZSWFCLXCOIISFI-UHFFFAOYSA-N
Smiles	C1C=CC=C1
InChI	InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

InChI Key

ZSWFCLXCOIISFI-UHFFFAOYSA-N

Smiles

C1C=CC=C1

InChI

InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

Property Name	Value
Molecular Formula	C5H6
Molecular Weight	66.05
AlogP	1.5
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C5H6

Molecular Weight

66.05

AlogP

1.5

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	542-92-7
NORMAN SUSDAT
FDA SRS	5DFH9434HF
PubChem	7612
ChemSpider	7330.0

Resources

Reference

CAS NUMBER

542-92-7

NORMAN SUSDAT

FDA SRS

5DFH9434HF

PubChem

7612

ChemSpider

7330.0


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

1,3-CYCLOPENTADIENE

Structure

Physicochemical Descriptors

Cross References