Molecule

ID:98366

General Information
Structure
Molecular Formula
C₉H₂BrF₉
Molecular Mass
361.0018088
Exact Mass
359.91961604
Charge
0
InChI
InChI=1S/C9H2BrF9/c10-6-4(8(14,15)16)1-3(7(11,12)13)2-5(6)9(17,18)19/h1-2H
InChIKey
VCOPASKQGGTLRF-UHFFFAOYSA-N
Canonic Smiles
Brc1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(cc(c1)C(F)(F)F)C(F)(F)F)Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.375544
LogD (pH = 7.4)
5.375544
Log P
5.375544
Molar Refractivity
51.6019
Polarizability
18.412025
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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