Molecule

ID:7822

General Information
Structure
MolImage
Molecular Formula
C₆Br₃Cl₂F₉
Molecular Mass
553.6678288
Exact Mass
549.67834534
Charge
0
InChI
InChI=1S/C6Br3Cl2F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
InChIKey
QJQQQFAGKHFLNC-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(Br)(Cl)F)(F)F)(Br)F)(F)F)(C(Cl)(F)F)Br
Isomeric Smiles
ClC(C(C(C(C(C(Cl)(F)Br)(F)F)(F)Br)(F)F)(F)Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.4055414
LogD (pH = 7.4)
6.4055414
Log P
6.4055414
Molar Refractivity
64.3243
Polarizability
25.344748
Polar Surface Area
0.0
Rotatable Bonds
5
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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