Molecule

ID:117454

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₄O₃
Molecular Mass
258.31738
Exact Mass
258.16919058
Charge
0
InChI
InChI=1S/C11H22N4O3/c1-11(2,3)18-10(16)15-6-4-14(5-7-15)8-9(12)13-17/h17H,4-8H2,1-3H3,(H2,12,13)
InChIKey
AZGHKGYRVVEWOB-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/CN1CCN(CC1)C(=O)OC(C)(C)C)\N
Isomeric Smiles
C(=O)(N1CCN(C/C(=N/O)/N)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
10.540196
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4519367
LogD (pH = 7.4)
-0.38831186
Log P
-0.3248787
Molar Refractivity
67.5892
Polarizability
26.305647
Polar Surface Area
91.39
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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