Molecule

ID:114566

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-7-6-9(11)13-10(12-7)14-4-2-8(15)3-5-14/h6,8,15H,2-5H2,1H3,(H2,11,12,13)
InChIKey
OASNBXHGZRZTBK-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1nc(C)cc(n1)N
Isomeric Smiles
c1(nc(cc(n1)C)N)N1CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.177564
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.7556083
LogD (pH = 7.4)
-0.54036224
Log P
0.051526673
Molar Refractivity
60.4266
Polarizability
21.696913
Polar Surface Area
75.27
Rotatable Bonds
1
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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