Molecule

ID:75252

General Information
Structure
MolImage
Molecular Formula
C₂H₅BrO
Molecular Mass
124.9645
Exact Mass
123.95237678
Charge
0
InChI
InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3
InChIKey
JAMFGQBENKSWOF-UHFFFAOYSA-N
Canonic Smiles
COCBr
Isomeric Smiles
O(CBr)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6137889
LogD (pH = 7.4)
0.6137889
Log P
0.6137889
Molar Refractivity
20.4685
Polarizability
8.11769
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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