Molecule

ID:84681

General Information
Structure
MolImage
Molecular Formula
C₆H₈Br₂O₄
Molecular Mass
303.93332
Exact Mass
301.87893274
Charge
0
InChI
InChI=1S/C6H8Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3
InChIKey
XQBOXCHKENCESQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(=O)OC)Br)Br
Isomeric Smiles
O=C(C(C(C(=O)OC)Br)Br)OC
Calculated Properties
JChem
Acid pKa
18.12001
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7764958
LogD (pH = 7.4)
1.7764958
Log P
1.5431625
Molar Refractivity
47.8206
Polarizability
19.562578
Polar Surface Area
52.6
Rotatable Bonds
5
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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