Molecule

ID:89798

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₆BN
Molecular Mass
253.27474
Exact Mass
253.29408056
Charge
0
InChI
InChI=1S/C16H36N.B/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;/q+1;-1
InChIKey
SGIQRFZMJGZMNT-UHFFFAOYSA-N
Canonic Smiles
CCCC[N+](CCCC)(CCCC)CCCC.[B-]
Isomeric Smiles
[N+](CCCC)(CCCC)(CCCC)CCCC.[B-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
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
暂无数据
点击上传数据
References
Bioactivity
Navigation