Molecule

ID:65771

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10)
InChIKey
HRAWNPOJGRIJSB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)n[nH]c1N
Isomeric Smiles
[nH]1nc(c(c1N)C(=O)OCC)N
Calculated Properties
JChem
Acid pKa
12.670162
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9421515
LogD (pH = 7.4)
0.96333224
Log P
0.96361136
Molar Refractivity
45.4869
Polarizability
15.785368
Polar Surface Area
107.02
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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