Molecule

ID:97904

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₂
Molecular Mass
196.2363664
Exact Mass
196.10635689
Charge
0
InChI
InChI=1S/C12H14F2/c13-12(14)9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey
NDVHJNSTZPHZIN-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CCCCC1c1ccccc1
Isomeric Smiles
FC1(C(c2ccccc2)CCCC1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7673957
LogD (pH = 7.4)
3.7673957
Log P
3.7673957
Molar Refractivity
52.7132
Polarizability
19.957106
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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