Molecule
ID:112337
General Information
Molecular Formula
C₁₄H₂₇BrO₂
Molecular Mass
307.26698
Exact Mass
306.1194421
Charge
0
InChI
InChI=1S/C14H27BrO2/c1-3-5-6-7-8-9-10-11-12-13(15)14(16)17-4-2/h13H,3-12H2,1-2H3
InChIKey
VGYZSIMAKGWWOP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(C(=O)OCC)Br
Isomeric Smiles
CCCCCCCCCCC(Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.650031
LogD (pH = 7.4)
5.650031
Log P
5.650031
Molar Refractivity
75.724
Polarizability
29.930061
Polar Surface Area
26.3
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...