Molecule

ID:66070

General Information
Structure
Molecular Formula
C₁₀H₁₂F₂
Molecular Mass
170.1990864
Exact Mass
170.09070682
Charge
0
InChI
InChI=1S/C10H12F2/c1-3-10(11,12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
JMMWYWPQEOYBEU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)C)(F)F
Isomeric Smiles
c1(ccc(cc1)C)C(CC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7606912
LogD (pH = 7.4)
3.7606912
Log P
3.7606912
Molar Refractivity
45.6738
Polarizability
17.003632
Polar Surface Area
0.0
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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