Molecule

ID:84844

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Br₂O₄
Molecular Mass
307.96508
Exact Mass
305.91023286
Charge
0
InChI
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6+/m0/s1
InChIKey
VFKZTMPDYBFSTM-OMMKOOBNSA-N
Canonic Smiles
BrC[C@@H]([C@H]([C@H]([C@H](CBr)O)O)O)O
Isomeric Smiles
O[C@H]([C@@H]([C@@H](O)CBr)O)[C@@H](O)CBr
Calculated Properties
JChem
Acid pKa
12.628263
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-0.64984465
LogD (pH = 7.4)
-0.64984715
Log P
-0.6498446
Molar Refractivity
50.4726
Polarizability
20.44583
Polar Surface Area
80.92
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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