Basic Molecular Information

Basic Information

DICL ID
DICL_CP_0307580
PubChem CID
Molecular Formula
C7H6O3
Molecular Weight
138.122 g/mol
Synonyms/Alias
[salicylic acid; 2-Hydroxybenzoic acid; 69-72-7; o-hydroxybenzoic acid; 2-Carboxyphenol; o-Carboxyphenol; Rutranex; Salonil; Retarder W; Duoplant; Keralyt; Psoriacid-S-stift; Freezone; Saligel; Ionil;...
InChI Key
YGSDEFSMJLZEOE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
IUPAC Name
2-hydroxybenzoic acid
CAS Number
33019-34-0

Structure Information

Chemical Structure Visualization

SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF

16 16 0 0 0 0 0 0 0 0999 V2000
-1.6824 1.0770 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2011 -0.2137 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -1.294...

Experimental Data

Activity Data

Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 260000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)

Experimental Conditions

pH
pH 7.3
Holding Potential
−60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified

Binding Information

Binding Site
Not specified
Binding Site Residue
Not specified

Disease Information

Related Disease
Not specified

References

URL
N/A (Not available)
PMID
Patent
N/A (Not available)

Computed Properties

Heavy Atom Count
10
Rotatable Bonds
1
logP
1.0904
Complexity
35.0661
TPSA (Ų)
57.53
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1
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