Molecule

ID:97906

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₂
Molecular Mass
156.1725064
Exact Mass
156.07505676
Charge
0
InChI
InChI=1S/C9H10F2/c1-7-3-5-8(6-4-7)9(2,10)11/h3-6H,1-2H3
InChIKey
QNMYSHCXLYKTPQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(F)(F)C
Isomeric Smiles
FC(c1ccc(cc1)C)(C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.123818
LogD (pH = 7.4)
3.123818
Log P
3.123818
Molar Refractivity
41.205
Polarizability
15.175022
Polar Surface Area
0.0
Rotatable Bonds
1
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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