Molecule

ID:16682

General Information
Structure
Molecular Formula
C₅H₆N₄O₂
Molecular Mass
154.12674
Exact Mass
154.04907545
Charge
0
InChI
InChI=1S/C5H6N4O2/c6-3-2(1-10)4(11)9-5(7)8-3/h1H,(H5,6,7,8,9,11)
InChIKey
UARQZTIUTBJHGG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(N)nc(nc1O)N
Isomeric Smiles
c1(c(nc(nc1O)N)N)C=O
Calculated Properties
JChem
Acid pKa
12.300545
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.9677987
LogD (pH = 7.4)
0.96848553
Log P
0.96852165
Molar Refractivity
41.261
Polarizability
13.474567
Polar Surface Area
115.12
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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