Molecule

ID:24689

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₄
Molecular Mass
129.07092
Exact Mass
129.00620758
Charge
0
InChI
InChI=1S/C4H3NO4/c6-3-1-2(4(7)8)9-5-3/h1H,(H,5,6)(H,7,8)
InChIKey
VOCWBIGTEMMVGZ-UHFFFAOYSA-N
Canonic Smiles
Oc1noc(c1)C(=O)O
Isomeric Smiles
c1(cc(no1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8947496
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4110267
LogD (pH = 7.4)
-4.3250036
Log P
0.20626746
Molar Refractivity
26.9281
Polarizability
9.601816
Polar Surface Area
83.56
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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