Molecule

ID:108987

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₉NO
Molecular Mass
227.38616
Exact Mass
227.22491455
Charge
0
InChI
InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)
InChIKey
QEALYLRSRQDCRA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)N
Isomeric Smiles
CCCCCCCCCCCCCC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
4.56
LogD (pH = 5.5)
4.56
Log P
4.56
Rotatable Bonds
12
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.38
Polar Surface Area
43.09
Polarizability
30.48
Molar Refractivity
69.70
LOG S
-5.73
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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