Molecule

ID:103544

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₈BrN
Molecular Mass
336.39432
Exact Mass
335.21876222
Charge
0
InChI
InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
Isomeric Smiles
[Br-].CCCCCCCCCCCCCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7974185
LogD (pH = 7.4)
1.7974185
Log P
1.7974185
Molar Refractivity
95.7853
Polarizability
33.581413
Polar Surface Area
0.0
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation