Molecule

ID:9474

General Information
Structure
Molecular Formula
C₇BrF₁₅
Molecular Mass
448.954948
Exact Mass
447.8943853
Charge
0
InChI
InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKey
VPQQZKWYZYVTMU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9419904
LogD (pH = 7.4)
5.9419904
Log P
5.9419904
Molar Refractivity
43.8525
Polarizability
17.443066
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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