Molecule
ID:9960
General Information
Molecular Formula
C₁₀H₆F₁₂
Molecular Mass
354.1354784
Exact Mass
354.02778883
Charge
0
InChI
InChI=1S/C10H6F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
InChIKey
PDFSXHZXNZCKNF-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(=C)C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.837881
LogD (pH = 7.4)
5.837881
Log P
5.837881
Molar Refractivity
48.3024
Polarizability
17.959438
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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