Molecule

ID:89375

General Information
Structure
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Molecular Formula
C₃H₆Br₂O
Molecular Mass
217.88714
Exact Mass
215.87853881
Charge
0
InChI
InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKey
QWVCIORZLNBIIC-UHFFFAOYSA-N
Canonic Smiles
OCC(CBr)Br
Isomeric Smiles
BrCC(Br)CO
Calculated Properties
JChem
Acid pKa
14.494678
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2411603
LogD (pH = 7.4)
1.2411602
Log P
1.2411603
Molar Refractivity
32.5851
Polarizability
12.953307
Polar Surface Area
20.23
Rotatable Bonds
2
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
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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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