Molecule

ID:65915

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrO₆
Molecular Mass
311.1265
Exact Mass
310.0052002
Charge
0
InChI
InChI=1S/C10H15BrO6/c1-4-15-9(13)7(11)8(17-6(3)12)10(14)16-5-2/h7-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKey
WAEXOXZYBOQKKQ-SFYZADRCSA-N
Canonic Smiles
CCOC(=O)[C@H]([C@H](C(=O)OCC)Br)OC(=O)C
Isomeric Smiles
C(=O)([C@H]([C@H](C(=O)OCC)Br)OC(=O)C)OCC
Calculated Properties
JChem
Acid pKa
16.211416
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.39115
LogD (pH = 7.4)
1.39115
Log P
1.1578166
Molar Refractivity
60.4348
Polarizability
24.57014
Polar Surface Area
78.9
Rotatable Bonds
9
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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