Molecule
ID:99037
General Information
Molecular Formula
C₄Br₂F₈O
Molecular Mass
375.8374256
Exact Mass
373.81881438
Charge
0
InChI
InChI=1S/C4Br2F8O/c5-1(7,2(6,8)9)3(10,11)15-4(12,13)14
InChIKey
XBBIHHOYLHDMRA-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(C(Br)(F)F)(Br)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(Br)(F)F)(Br)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.952766
LogD (pH = 7.4)
4.952766
Log P
4.952766
Molar Refractivity
35.6812
Polarizability
15.6205635
Polar Surface Area
9.23
Rotatable Bonds
4
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
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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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