Molecule

ID:97392

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₉
Molecular Mass
280.5187088
Exact Mass
279.97013172
Charge
0
InChI
InChI=1S/C6H2ClF9/c1-2(7)3(8,5(11,12)13)4(9,10)6(14,15)16/h1H2
InChIKey
IXGYNVBCCZVDNX-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(F)(F)C(C(=C)Cl)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9348986
LogD (pH = 7.4)
3.9348986
Log P
3.9348986
Molar Refractivity
35.5761
Polarizability
13.279378
Polar Surface Area
0.0
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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