3CH

3-CHLOROPHENOL

Created:	2002-04-18
Last modified:	2011-06-04

Find Related PDB Entry
3 entries where 3CH is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

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	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-CHLOROPHENOL
Systematic Name (OpenEye OEToolkits)	3-chlorophenol
Formula	C₆ H₅ Cl O
Molecular Weight	128.556
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(O)ccc1
SMILES	CACTVS	3.341	Oc1cccc(Cl)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)O
Canonical SMILES	CACTVS	3.341	Oc1cccc(Cl)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)O
InChI	InChI	1.03	InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey	InChI	1.03	HORNXRXVQWOLPJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01957
Name	3-Chlorophenol
Groups	experimental
Synonyms	3-Chlorophenol
Categories	Benzene Derivatives Chlorobenzenes Phenols
CAS number	108-43-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lysozyme	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682