Molecule

ID:24688

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₃
Molecular Mass
127.0981
Exact Mass
127.02694303
Charge
0
InChI
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChIKey
HXIYCKAAQPHZBM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(on1)C(=O)O
Isomeric Smiles
c1(onc(c1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9347982
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4750187
LogD (pH = 7.4)
-3.4351099
Log P
0.046745416
Molar Refractivity
29.2252
Polarizability
10.597269
Polar Surface Area
63.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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