Molecule
ID:93402
General Information
Molecular Formula
C₇H₅Br₂FO
Molecular Mass
283.9204032
Exact Mass
281.869117
Charge
0
InChI
InChI=1S/C7H5Br2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
InChIKey
RRQJXMYJDDHRFT-UHFFFAOYSA-N
Canonic Smiles
OCc1c(F)cc(cc1Br)Br
Isomeric Smiles
OCc1c(cc(cc1F)Br)Br
Calculated Properties
JChem
Acid pKa
14.265793
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8861032
LogD (pH = 7.4)
2.8861032
Log P
2.8861032
Molar Refractivity
48.3359
Polarizability
18.619026
Polar Surface Area
20.23
Rotatable Bonds
1
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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