Molecule

ID:100875

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrF₅
Molecular Mass
260.986796
Exact Mass
259.92600316
Charge
0
InChI
InChI=1S/C7H2BrF5/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H
InChIKey
MCORQPVVYSDQAE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
Brc1c(c(c(cc1)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9052508
LogD (pH = 7.4)
3.9052508
Log P
3.9052508
Molar Refractivity
40.0873
Polarizability
14.672747
Polar Surface Area
0.0
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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