Molecule

ID:134753

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅Br
Molecular Mass
250.22355484
Exact Mass
249.11731764
Charge
0
InChI
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3/i12+1
InChIKey
PBLNBZIONSLZBU-HNHCFKFXSA-N
Canonic Smiles
CCCCCCCCCCC[13CH2]Br
Isomeric Smiles
CCCCCCCCCCC[13CH2]Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9019585
LogD (pH = 7.4)
5.9019585
Log P
5.9019585
Molar Refractivity
64.9774
Polarizability
25.407633
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
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