Molecule

ID:53244

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄O
Molecular Mass
194.23366
Exact Mass
194.11676109
Charge
0
InChI
InChI=1S/C9H14N4O/c10-8-7(9(11)14)5-12-13(8)6-3-1-2-4-6/h5-6H,1-4,10H2,(H2,11,14)
InChIKey
FDWHOJIUCDZERN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnn(c1N)C1CCCC1
Isomeric Smiles
c1(c(n(nc1)C1CCCC1)N)C(=O)N
Calculated Properties
JChem
Acid pKa
13.364124
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5164516
LogD (pH = 7.4)
0.516809
Log P
0.5168131
Molar Refractivity
64.4067
Polarizability
19.551962
Polar Surface Area
86.93
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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