Molecule

ID:29964

General Information
Structure
Molecular Formula
C₁₀H₈F₆
Molecular Mass
242.1609392
Exact Mass
242.05301958
Charge
0
InChI
InChI=1S/C10H8F6/c11-9(12,13)5-4-7-2-1-3-8(6-7)10(14,15)16/h1-3,6H,4-5H2
InChIKey
LBDFRHGHZRVAPO-UHFFFAOYSA-N
Canonic Smiles
FC(CCc1cccc(c1)C(F)(F)F)(F)F
Isomeric Smiles
c1(cc(ccc1)CCC(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4438148
LogD (pH = 7.4)
4.4438148
Log P
4.4438148
Molar Refractivity
47.0582
Polarizability
16.606304
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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