Molecule

ID:64425

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂
Molecular Mass
111.0987
Exact Mass
111.03202841
Charge
0
InChI
InChI=1S/C5H5NO2/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChIKey
ARAUEWKXKTYCHZ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)C=O
Isomeric Smiles
n1c(coc1C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.42524698
LogD (pH = 7.4)
0.42524737
Log P
0.42524737
Molar Refractivity
27.4069
Polarizability
10.055865
Polar Surface Area
43.1
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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