Molecule
ID:119106
General Information
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-13H,1-10H2
InChIKey
RVZATTSXQJHIRB-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CCCC1C(CC2)N1CCCCC1
Isomeric Smiles
C12C(=O)C(CCC1N1CCCCC1)CCC2
Calculated Properties
JChem
Acid pKa
19.22982
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.5628997
LogD (pH = 7.4)
0.45107657
Log P
2.8833113
Molar Refractivity
65.5795
Polarizability
25.93125
Polar Surface Area
20.31
Rotatable Bonds
1
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
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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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