Molecule

ID:76557

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₆O₂
Molecular Mass
210.1933
Exact Mass
210.08652359
Charge
0
InChI
InChI=1S/C7H10N6O2/c1-7(2,14)4-3-9-12-13(4)6-5(8)10-15-11-6/h3,14H,1-2H3,(H2,8,10)
InChIKey
UAQQJLKNACTKTL-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1n1nncc1C(O)(C)C
Isomeric Smiles
n1c(n2c(cnn2)C(O)(C)C)c(no1)N
Calculated Properties
JChem
Acid pKa
12.57871
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.52317536
LogD (pH = 7.4)
-0.5231768
Log P
-0.5231741
Molar Refractivity
54.2251
Polarizability
18.47234
Polar Surface Area
115.88
Rotatable Bonds
2
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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