Molecule
ID:11855
General Information
Molecular Formula
C₇BrF₁₅O₂
Molecular Mass
480.953748
Exact Mass
479.88421454
Charge
0
InChI
InChI=1S/C7BrF15O2/c8-7(22,23)25-6(20,21)5(18,19)24-4(16,17)2(11,12)1(9,10)3(13,14)15
InChIKey
AWVFMOQHHHUYSE-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)F
Isomeric Smiles
C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.0047965
LogD (pH = 7.4)
7.0047965
Log P
7.0047965
Molar Refractivity
37.1445
Polarizability
19.109985
Polar Surface Area
18.46
Rotatable Bonds
8
Lipinski's Rule of Five
false
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
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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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