Molecule
ID:18371
General Information
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-8-6(11)5-4(7)3-9-10(5)2/h3H,7H2,1-2H3,(H,8,11)
InChIKey
SSNDECQBXILCBG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1c(N)cnn1C
Isomeric Smiles
c1(n(ncc1N)C)C(=O)NC
Calculated Properties
JChem
Acid pKa
15.539315
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.78350633
LogD (pH = 7.4)
-0.78350264
Log P
-0.7835026
Molar Refractivity
53.5144
Polarizability
14.786991
Polar Surface Area
72.94
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
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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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