Molecule
ID:53501
General Information
Molecular Formula
C₅H₈Br₂O₂
Molecular Mass
259.92382
Exact Mass
257.8891035
Charge
0
InChI
InChI=1S/C5H8Br2O2/c1-5(7,3-6)4(8)9-2/h3H2,1-2H3
InChIKey
GVLXNUSEDDXIGJ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC)(CBr)Br
Isomeric Smiles
C(C(=O)OC)(Br)(CBr)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1400948
LogD (pH = 7.4)
2.1400948
Log P
2.1400948
Molar Refractivity
41.9349
Polarizability
16.745548
Polar Surface Area
26.3
Rotatable Bonds
3
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
No Data Available
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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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