Molecule

ID:100521

General Information
Structure
MolImage
Molecular Formula
C₈H₂ClF₁₃
Molecular Mass
380.5337216
Exact Mass
379.9637446
Charge
0
InChI
InChI=1S/C8H2ClF13/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H2
InChIKey
SZFSPMFXRJVSPT-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
ClC(=C)C(C(F)(F)C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5978475
LogD (pH = 7.4)
5.5978475
Log P
5.5978475
Molar Refractivity
44.638
Polarizability
17.083096
Polar Surface Area
0.0
Rotatable Bonds
6
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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