CHLOROXYLENOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: D08AE05
UNII: 0F32U78V2Q

Structure
InChI Key OSDLLIBGSJNGJE-UHFFFAOYSA-N
Smile Cc1cc(O)cc(C)c1Cl
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9ClO
Molecular Weight 156.61
AlogP 2.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 117

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 34393
ChEMBL CHEMBL398440
DrugBank DB11121
DrugCentral 3094
EPA CompTox DTXSID0032316
FDA SRS 0F32U78V2Q
KEGG C14715
PubChem 2723
SureChEMBL SCHEMBL34163
ZINC ZINC000000001132
CONTENTS