Molecule

ID:90267

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂
Molecular Mass
111.0987
Exact Mass
111.03202841
Charge
0
InChI
InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)
InChIKey
ZCUUVWCJGRQCMZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cnccc1O
Isomeric Smiles
n1cc(c(cc1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.10
LogD (pH = 5.5)
0.15
Log P
0.15
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.35
Polar Surface Area
53.35
Polarizability
10.02
Molar Refractivity
27.86
LOG S
0.65
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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