Molecule

ID:60714

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-3-11-4(2)8-6-5(7)9-12-10-6/h3H2,1-2H3,(H2,7,9)/b8-4+
InChIKey
TYKCPJFDNOQAOC-XBXARRHUSA-N
Canonic Smiles
C/C(=N\c1nonc1N)/OCC
Isomeric Smiles
c1(c(non1)N)/N=C(/OCC)\C
Calculated Properties
JChem
Acid pKa
12.336365
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3568825
LogD (pH = 7.4)
0.35687786
Log P
0.35688257
Molar Refractivity
46.8739
Polarizability
15.4842205
Polar Surface Area
86.53
Rotatable Bonds
3
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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