Molecule

ID:103208

General Information
Structure
MolImage
Molecular Formula
C₃₈H₈₀BrN
Molecular Mass
630.9525
Exact Mass
629.54741357
Charge
0
InChI
InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChIKey
PSLWZOIUBRXAQW-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C.[Br-]
Isomeric Smiles
[Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.123553
LogD (pH = 7.4)
11.123553
Log P
11.123553
Molar Refractivity
192.4769
Polarizability
72.36879
Polar Surface Area
0.0
Rotatable Bonds
34
Lipinski's Rule of Five
false
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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