Molecule

ID:62242

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-14(2)10-12-8(5-9(15)13-10)7-3-4-11-6-7/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)
InChIKey
JQUUFBDEPNTDGS-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(n1)N(C)C)C1CNCC1
Isomeric Smiles
c1(nc(cc(n1)C1CNCC1)O)N(C)C
Calculated Properties
JChem
Acid pKa
13.202776
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.1614442
LogD (pH = 7.4)
-1.8138725
Log P
1.0737444
Molar Refractivity
59.6594
Polarizability
22.063044
Polar Surface Area
61.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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