Molecule

ID:134696

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁Br
Molecular Mass
221.17774
Exact Mass
220.08266267
Charge
0
InChI
InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKey
MYMSJFSOOQERIO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCBr
Isomeric Smiles
CCCCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.012821
LogD (pH = 7.4)
5.012821
Log P
5.012821
Molar Refractivity
55.7754
Polarizability
21.74532
Polar Surface Area
0.0
Rotatable Bonds
8
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