Molecule

ID:98745

General Information
Structure
Molecular Formula
C₇H₂BrF₁₁O
Molecular Mass
390.9766152
Exact Mass
389.9113371
Charge
0
InChI
InChI=1S/C7H2BrF11O/c1-2(8)3(9,5(12,13)14)20-7(18,19)4(10,11)6(15,16)17/h1H2
InChIKey
VCQVNKMSJHZKBS-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(F)(F)C(OC(C(C(F)(F)F)(F)F)(F)F)(F)C(=C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.346658
LogD (pH = 7.4)
5.346658
Log P
5.346658
Molar Refractivity
45.5993
Polarizability
17.330042
Polar Surface Area
9.23
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
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Molecule Details
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References
Bioactivity
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