Molecule

ID:12869

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₃
Molecular Mass
113.07152
Exact Mass
113.01129296
Charge
0
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChIKey
MIIQJAUWHSUTIT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccno1
Isomeric Smiles
c1cnoc1C(=O)O
Calculated Properties
JChem
Acid pKa
2.9320776
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.608701
LogD (pH = 7.4)
-3.5667465
Log P
-0.08462475
Molar Refractivity
24.6337
Polarizability
8.876851
Polar Surface Area
63.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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