Molecule
ID:84537
General Information
Molecular Formula
C₅H₁₃N₃O
Molecular Mass
131.17622
Exact Mass
131.10586205
Charge
0
InChI
InChI=1S/C5H13N3O/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
InChIKey
RQRLGHDOAMWLLQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)NC(C)(C)C
Isomeric Smiles
N(C(=O)NN)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.25492
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.38431543
LogD (pH = 7.4)
-0.38269517
Log P
-0.38267383
Molar Refractivity
36.329
Polarizability
13.732293
Polar Surface Area
67.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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