Molecule

ID:75882

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BrO₂
Molecular Mass
271.1503
Exact Mass
270.02554172
Charge
0
InChI
InChI=1S/C12H15BrO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-9H2
InChIKey
ZFYVDBXSQARTLZ-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1OC1CCOCC1
Isomeric Smiles
BrCc1c(cccc1)OC1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.549498
LogD (pH = 7.4)
2.549498
Log P
2.549498
Molar Refractivity
63.8471
Polarizability
24.696707
Polar Surface Area
18.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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