Molecule

ID:94264

General Information
Structure
MolImage
Molecular Formula
C₆HBrF₁₂
Molecular Mass
380.9569784
Exact Mass
379.90700067
Charge
0
InChI
InChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H
InChIKey
POJDLLAQCVDMMK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
BrC(C(C(C(F)(F)C(C(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.786766
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7525873
LogD (pH = 7.4)
4.7525873
Log P
4.7525873
Molar Refractivity
38.2948
Polarizability
15.337758
Polar Surface Area
0.0
Rotatable Bonds
5
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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