Molecule

ID:10134

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄O₂
Molecular Mass
210.23306
Exact Mass
210.11167571
Charge
0
InChI
InChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)
InChIKey
DWPRJVXKQCFURP-UHFFFAOYSA-N
Canonic Smiles
CN(c1nc(nc(c1)C(=O)O)N(C)C)C
Isomeric Smiles
c1c(nc(nc1N(C)C)N(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.266182
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.49506503
LogD (pH = 7.4)
-0.6428235
Log P
-0.49330285
Molar Refractivity
58.7232
Polarizability
20.586506
Polar Surface Area
69.56
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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