Molecule
ID:81537
General Information
Molecular Formula
C₁₁H₂₃NO₂
Molecular Mass
201.30582
Exact Mass
201.17287898
Charge
0
InChI
InChI=1S/C11H23NO2/c1-2-3-4-5-6-9-12-11(14)8-7-10-13/h13H,2-10H2,1H3,(H,12,14)
InChIKey
YUFFUVLTDLCYDY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNC(=O)CCCO
Isomeric Smiles
O=C(NCCCCCCC)CCCO
Calculated Properties
JChem
Acid pKa
15.815474
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.559418
LogD (pH = 7.4)
1.5594187
Log P
1.5594187
Molar Refractivity
58.1958
Polarizability
22.817007
Polar Surface Area
49.33
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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