Molecule

ID:44803

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
KELXHQACBIUYSE-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1O)O
Isomeric Smiles
n1c(c(cnc1O)OC)O
Calculated Properties
JChem
Acid pKa
12.594273
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.558177
LogD (pH = 7.4)
0.5581744
Log P
0.5581771
Molar Refractivity
33.4068
Polarizability
12.425673
Polar Surface Area
75.47
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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