Molecule

ID:8708

General Information
Structure
MolImage
Molecular Formula
C₆Br₂ClF₈N
Molecular Mass
433.3191256
Exact Mass
430.79582645
Charge
0
InChI
InChI=1S/C6Br2ClF8N/c7-2(10,1-18)5(13,14)3(8,11)4(9,12)6(15,16)17
InChIKey
UYAKDDDHGRMLKH-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(F)(F)F)(Cl)F)(Br)F)(F)F)(Br)F
Isomeric Smiles
C(C(C(C(C(C#N)(F)Br)(F)F)(F)Br)(Cl)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9131103
LogD (pH = 7.4)
4.9131103
Log P
4.9131103
Molar Refractivity
51.6939
Polarizability
20.023813
Polar Surface Area
23.79
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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