Molecule

ID:99149

General Information
Structure
MolImage
Molecular Formula
C₁₂BrF₉O
Molecular Mass
411.0174288
Exact Mass
409.8988806
Charge
0
InChI
InChI=1S/C12BrF9O/c13-1-2(14)7(19)11(8(20)3(1)15)23-12-9(21)5(17)4(16)6(18)10(12)22
InChIKey
UHIGTBMVQHTRMG-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(Oc2c(F)c(F)c(c(c2F)F)Br)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)Br)F)F)c1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.526603
LogD (pH = 7.4)
5.526603
Log P
5.526603
Molar Refractivity
61.8692
Polarizability
22.69972
Polar Surface Area
9.23
Rotatable Bonds
2
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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