Molecule

ID:3767

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁NO
Molecular Mass
229.40204
Exact Mass
229.24056462
Charge
0
InChI
InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChIKey
SYELZBGXAIXKHU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC[N+](C)(C)[O-]
Isomeric Smiles
[N+]([O-])(C)(C)CCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.95
LogD (pH = 5.5)
3.94
Log P
3.95
Rotatable Bonds
11
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.48
Polar Surface Area
23.06
Polarizability
31.14
Molar Refractivity
72.71
LOG S
-4.98
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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