Molecule

ID:110548

General Information
Structure
Molecular Formula
C₁₇H₃₆BrNO₂
Molecular Mass
366.37724
Exact Mass
365.1929414
Charge
0
InChI
InChI=1S/C17H36NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey
NPOCLPODHFCIJQ-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Br-]
Isomeric Smiles
[Br-].CCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.4805101
LogD (pH = 7.4)
0.4805101
Log P
0.4805101
Molar Refractivity
97.3814
Polarizability
34.27399
Polar Surface Area
26.3
Rotatable Bonds
14
Lipinski's Rule of Five
true
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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