Molecule

ID:98979

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂ClF₅
Molecular Mass
340.311696
Exact Mass
337.81319284
Charge
0
InChI
InChI=1S/C4H2Br2ClF5/c5-2(7,4(6,11)12)1-3(8,9)10/h1H2
InChIKey
ZAHDQTLNNTTYBI-UHFFFAOYSA-N
Canonic Smiles
FC(CC(C(Br)(F)F)(Br)Cl)(F)F
Isomeric Smiles
FC(CC(C(F)(F)Br)(Cl)Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8372533
LogD (pH = 7.4)
3.8372533
Log P
3.8372533
Molar Refractivity
42.2859
Polarizability
16.304817
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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