Molecule
ID:58521
General Information
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-5(6(11)9-7)10-4-2-3-8-10/h2-5H,7H2,1H3,(H,9,11)
InChIKey
QIUVUXJDIFSGNE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(n1cccn1)C
Isomeric Smiles
n1(cccn1)C(C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.130752
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6589052
LogD (pH = 7.4)
-0.65561485
Log P
-0.6555649
Molar Refractivity
51.8462
Polarizability
15.332806
Polar Surface Area
72.94
Rotatable Bonds
2
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
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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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