Molecule

ID:77551

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁BrO₂
Molecular Mass
195.05434
Exact Mass
193.99424159
Charge
0
InChI
InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey
XBPOBCXHALHJFP-UHFFFAOYSA-N
Canonic Smiles
BrCCCC(=O)OCC
Isomeric Smiles
O(C(=O)CCCBr)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5278693
LogD (pH = 7.4)
1.5278693
Log P
1.5278693
Molar Refractivity
39.3525
Polarizability
15.418758
Polar Surface Area
26.3
Rotatable Bonds
5
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