Molecule

ID:115415

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₃
Molecular Mass
239.27098
Exact Mass
239.12699142
Charge
0
InChI
InChI=1S/C11H17N3O3/c1-4-5-6-7(15)8-9(12)13(2)11(17)14(3)10(8)16/h4-6,12H2,1-3H3
InChIKey
URMMYGMLZUPVDE-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
Isomeric Smiles
n1(c(c(c(=O)n(c1=O)C)C(=O)CCCC)N)C
Calculated Properties
JChem
Acid pKa
19.051569
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.59731287
LogD (pH = 7.4)
0.59740245
Log P
0.5974036
Molar Refractivity
72.153
Polarizability
23.718828
Polar Surface Area
83.71
Rotatable Bonds
4
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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