Molecule

ID:86900

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Br
Molecular Mass
163.05554
Exact Mass
162.00441235
Charge
0
InChI
InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3
InChIKey
UNXURIHDFUQNOC-UHFFFAOYSA-N
Canonic Smiles
BrCCC=C(C)C
Isomeric Smiles
BrCCC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6714172
LogD (pH = 7.4)
2.6714172
Log P
2.6714172
Molar Refractivity
38.169
Polarizability
14.204119
Polar Surface Area
0.0
Rotatable Bonds
2
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