Molecule
ID:121946
General Information
Molecular Formula
C₁₀H₁₄N₄O
Molecular Mass
206.24436
Exact Mass
206.11676109
Charge
0
InChI
InChI=1S/C10H14N4O/c1-3-14(4-2)8-6-5-7-10(9(8)11)13-15-12-7/h5-6H,3-4,11H2,1-2H3
InChIKey
GJFQGIDAXKOEEB-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc2c(c1N)non2)CC
Isomeric Smiles
c12c(c(ccc1non2)N(CC)CC)N
Calculated Properties
JChem
Acid pKa
15.562865
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3154119
LogD (pH = 7.4)
1.3159949
Log P
1.3160024
Molar Refractivity
60.761
Polarizability
22.598955
Polar Surface Area
68.18
Rotatable Bonds
3
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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