Molecule

ID:87290

General Information
Structure
MolImage
Molecular Formula
C₂H₅BrO
Molecular Mass
124.9645
Exact Mass
123.95237678
Charge
0
InChI
InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
InChIKey
LDLCZOVUSADOIV-UHFFFAOYSA-N
Canonic Smiles
OCCBr
Isomeric Smiles
BrCCO
Calculated Properties
JChem
Acid pKa
14.914254
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.33140802
LogD (pH = 7.4)
0.33140802
Log P
0.33140802
Molar Refractivity
20.5881
Polarizability
8.047208
Polar Surface Area
20.23
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
No Data Available
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Molecule Details
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References
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Bioactivity
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