Molecular Details
DICL_CP_0311779
- (2R)-2-(4-chlorophenoxy)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311779
PubChem CID
Molecular Formula
C9H9ClO3 Molecular Weight
200.621 g/mol
Synonyms/Alias
[(2r)-2-(4-chlorophenoxy)propanoic acid; Propanoic acid; 2-(4-chlorophenoxy)-; (2R)-; 20421-34-5; SCHEMBL607372; CHEMBL281367; (r)-2-(4-chlorophenoxy) propi-onic acid; (R)-(+)-2-(4-Chlorophenoxy)propi...
InChI Key
DKHJWWRYTONYHB-ZCFIWIBFSA-N
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m1/s1
IUPAC Name
(2R)-2-(4-chlorophenoxy)propanoic acid
CAS Number
93-65-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 22 0 0 0 0 0 0 0 0999 V2000
-2.8071 -1.2330 0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6921 -0.2333 0.4490 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1720 0.785...
Experimental Data
Activity Data
Target Ion Channel
skeletal muscle chloride channel (CIC-1)
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
40 mV mV
Temperature
35 ± 1 °C
Test Method
Patch-clamping
Test Species
Sf9 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
3
logP
2.1919
Complexity
49.1778
TPSA (Ų)
46.53
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1