Molecule

ID:32003

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₆
Molecular Mass
248.5528392
Exact Mass
247.9827471
Charge
0
InChI
InChI=1S/C8H3ClF6/c9-6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H
InChIKey
QULONSINRUUAHY-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1Cl)C(F)(F)F)(F)F
Isomeric Smiles
c1(c(cccc1C(F)(F)F)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3329873
LogD (pH = 7.4)
4.3329873
Log P
4.3329873
Molar Refractivity
42.8102
Polarizability
15.231575
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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