Molecule

ID:67273

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BrO₂
Molecular Mass
271.1503
Exact Mass
270.02554172
Charge
0
InChI
InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3
InChIKey
GSIBTIUXYYFCPU-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)CBr)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8034198
LogD (pH = 7.4)
3.8034198
Log P
3.8034198
Molar Refractivity
64.7393
Polarizability
24.785618
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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