Molecule

ID:98756

General Information
Structure
Molecular Formula
C₆ClF₁₃
Molecular Mass
354.4964416
Exact Mass
353.94809454
Charge
0
InChI
InChI=1S/C6ClF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKey
BDUCYIFEYLMINO-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(C(F)(F)C(C(Cl)(F)F)(F)F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.090975
LogD (pH = 7.4)
5.090975
Log P
5.090975
Molar Refractivity
36.376
Polarizability
14.186298
Polar Surface Area
0.0
Rotatable Bonds
5
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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