Molecule

ID:37566

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O₃
Molecular Mass
282.37854
Exact Mass
282.1943427
Charge
0
InChI
InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+
InChIKey
NWAKHTZENIYBGL-CMDGGOBGSA-N
Canonic Smiles
CN(/C=C/C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C
Isomeric Smiles
C1CN(CCC1C(=O)/C=C/N(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
19.48207
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.81482625
LogD (pH = 7.4)
1.7880169
Log P
1.8373787
Molar Refractivity
79.9737
Polarizability
30.508312
Polar Surface Area
49.85
Rotatable Bonds
5
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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