Molecule

ID:51412

General Information
Structure
Molecular Formula
C₁₂H₁₀F₂
Molecular Mass
192.2046064
Exact Mass
192.07505676
Charge
0
InChI
InChI=1S/C12H10F2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,12H,1H3
InChIKey
HIAZKKZLEVLELB-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(c2c1cccc2)C)F
Isomeric Smiles
c1(ccc(c2ccccc12)C)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.865232
LogD (pH = 7.4)
3.865232
Log P
3.865232
Molar Refractivity
52.6334
Polarizability
20.785013
Polar Surface Area
0.0
Rotatable Bonds
1
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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