0CL

1,3-dichloropropane

Created:	2009-02-17
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 0CL is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	0

2D diagram of 0CL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,3-dichloropropane
Systematic Name (OpenEye OEToolkits)	1,3-dichloropropane
Formula	C₃ H₆ Cl₂
Molecular Weight	112.986
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	ClCCCCl
SMILES	CACTVS	3.341	ClCCCCl
SMILES	OpenEye OEToolkits	1.5.0	C(CCl)CCl
Canonical SMILES	CACTVS	3.341	ClCCCCl
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCl)CCl
InChI	InChI	1.03	InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKey	InChI	1.03	YHRUOJUYPBUZOS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8881
ChEMBL	CHEMBL157427
ChEBI	CHEBI:137978

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.