Molecule

ID:21878

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c16-12-14-8-4-3-7-13(14)11-15-9-5-1-2-6-10-15/h3-4,7-8,16H,1-2,5-6,9-12H2
InChIKey
JWNZOERCZGLXGZ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1CN1CCCCCC1
Isomeric Smiles
N1(Cc2c(CO)cccc2)CCCCCC1
Calculated Properties
JChem
Acid pKa
14.946136
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9161031
LogD (pH = 7.4)
0.44182223
Log P
2.4422276
Molar Refractivity
68.1596
Polarizability
26.494133
Polar Surface Area
23.47
Rotatable Bonds
3
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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