Molecule

ID:85706

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(c(n1)O)C
Isomeric Smiles
n1c(ncc(c1O)C)O
Calculated Properties
JChem
Acid pKa
12.456424
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2292696
LogD (pH = 7.4)
1.2292689
Log P
1.2292697
Molar Refractivity
31.984798
Polarizability
11.602661
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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