Molecule

ID:22450

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKey
OREVOAMPEBWISR-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc(c1C)O
Isomeric Smiles
c1nc(c(c(n1)O)C)O
Calculated Properties
JChem
Acid pKa
12.140166
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1449411
LogD (pH = 7.4)
1.1449335
Log P
1.1449412
Molar Refractivity
32.3523
Polarizability
11.598285
Polar Surface Area
66.24
Rotatable Bonds
0
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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