Molecule

ID:30386

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₄O
Molecular Mass
224.3027
Exact Mass
224.16371128
Charge
0
InChI
InChI=1S/C11H20N4O/c1-7-6-14(3)8(2)4-9(7)15-10(12)5-11(16)13-15/h5,7-9H,4,6,12H2,1-3H3,(H,13,16)
InChIKey
KERAHEXBXSFFAC-UHFFFAOYSA-N
Canonic Smiles
CC1CN(C)C(CC1n1nc(cc1N)O)C
Isomeric Smiles
n1(c(cc(n1)O)N)C1CC(N(CC1C)C)C
Calculated Properties
JChem
Acid pKa
8.369903
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3208442
LogD (pH = 7.4)
-0.7549688
Log P
0.05318974
Molar Refractivity
75.4958
Polarizability
24.33029
Polar Surface Area
67.31
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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