Molecule

ID:94651

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₁₃
Molecular Mass
402.1949816
Exact Mass
402.06531721
Charge
0
InChI
InChI=1S/C12H11F13/c1-2-3-4-5-6-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5-6H,2-4H2,1H3
InChIKey
MROPLCIMSIZRIC-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(F)C(C(C(F)(C(/C=C/CCCC)(F)F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.0814257
LogD (pH = 7.4)
7.0814257
Log P
7.0814257
Molar Refractivity
59.3983
Polarizability
21.641314
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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