Molecule

ID:24822

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₃
Molecular Mass
113.07152
Exact Mass
113.01129296
Charge
0
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)
InChIKey
LYPXTDXYEQEIIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1conc1
Isomeric Smiles
c1(C(=O)O)conc1
Calculated Properties
JChem
Acid pKa
4.1493654
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.371345
LogD (pH = 7.4)
-3.0718877
Log P
-0.0046258764
Molar Refractivity
24.7562
Polarizability
8.872965
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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