Molecule

ID:115463

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O
Molecular Mass
182.22296
Exact Mass
182.11676109
Charge
0
InChI
InChI=1S/C8H14N4O/c1-8(2,3)12-6(9)5(4-11-12)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKey
NDFXVDCXWFVBHJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnn(c1N)C(C)(C)C
Isomeric Smiles
c1(c(cnn1C(C)(C)C)C(=O)N)N
Calculated Properties
JChem
Acid pKa
13.357604
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.21572807
LogD (pH = 7.4)
0.21606699
Log P
0.21607088
Molar Refractivity
61.7991
Polarizability
18.435574
Polar Surface Area
86.93
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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