EcoDrugPlus


Keyword(s):	Human Neurotoxin ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	9H780918D0
EPA CompTox	DTXSID1022057

Keyword(s):

Human Neurotoxin ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

9H780918D0

EPA CompTox

DTXSID1022057


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


InChI Key	UOORRWUZONOOLO-UHFFFAOYSA-N
Smiles	ClCC=CCl
InChI	InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2

InChI Key

UOORRWUZONOOLO-UHFFFAOYSA-N

Smiles

ClCC=CCl

InChI

InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2

Property Name	Value
Molecular Formula	C3H4Cl2
Molecular Weight	109.97
AlogP	1.98
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	1.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H4Cl2

Molecular Weight

109.97

AlogP

1.98

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

1.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	542-75-6
NORMAN SUSDAT
FDA SRS	9H780918D0
PubChem	24883
ChemSpider	23117.0

Resources

Reference

CAS NUMBER

542-75-6

NORMAN SUSDAT

FDA SRS

9H780918D0

PubChem

24883

ChemSpider

23117.0


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-DICHLOROPROPENE

Structure

Physicochemical Descriptors

Cross References