Molecule

ID:78620

General Information
Structure
Molecular Formula
C₁₃H₂₂N₂O₃
Molecular Mass
254.32538
Exact Mass
254.16304257
Charge
0
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(16)15-8-5-11(6-9-15)17-10-4-7-14/h11H,4-6,8-10H2,1-3H3
InChIKey
ADKFQHPGFASCQN-UHFFFAOYSA-N
Canonic Smiles
N#CCCOC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC(CC1)OCCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8244456
LogD (pH = 7.4)
0.8244456
Log P
0.8244456
Molar Refractivity
67.9273
Polarizability
26.418438
Polar Surface Area
62.56
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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