Molecule

ID:12381

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrF₆
Molecular Mass
307.0304192
Exact Mass
305.94788148
Charge
0
InChI
InChI=1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey
CHSQGVCRNVEWIA-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(ccc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(ccc(c(c1)CBr)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.50168
LogD (pH = 7.4)
4.50168
Log P
4.50168
Molar Refractivity
50.8558
Polarizability
18.10254
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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