Molecule

ID:30509

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₃
Molecular Mass
127.0981
Exact Mass
127.02694303
Charge
0
InChI
InChI=1S/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey
IARMCEYEYXXEOS-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)C(=O)O
Isomeric Smiles
c1(nc(oc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9352484
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4901124
LogD (pH = 7.4)
-3.1133935
Log P
0.08163516
Molar Refractivity
28.0923
Polarizability
10.595478
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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