Molecule

ID:78028

General Information
Structure
Molecular Formula
C₃H₄Br₂O
Molecular Mass
215.87126
Exact Mass
213.86288875
Charge
0
InChI
InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2
InChIKey
LQQKDSXCDXHLLF-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)CBr
Isomeric Smiles
O=C(CBr)CBr
Calculated Properties
JChem
Acid pKa
16.58229
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.551958
LogD (pH = 7.4)
1.551958
Log P
1.551958
Molar Refractivity
31.6682
Polarizability
12.459155
Polar Surface Area
17.07
Rotatable Bonds
2
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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