Molecule

ID:8696

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂ClF₆
Molecular Mass
358.3021592
Exact Mass
355.80377103
Charge
0
InChI
InChI=1S/C4HBr2ClF6/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKey
ZMYHDNKORPYGEM-UHFFFAOYSA-N
Canonic Smiles
BrC(C(C(F)(F)F)(Br)Cl)C(F)(F)F
Isomeric Smiles
C(C(C(C(F)(F)F)(Cl)Br)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.372152
LogD (pH = 7.4)
4.372152
Log P
4.372152
Molar Refractivity
42.1878
Polarizability
16.413961
Polar Surface Area
0.0
Rotatable Bonds
3
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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