Molecule

ID:58848

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂F₂
Molecular Mass
134.1669864
Exact Mass
134.09070682
Charge
0
InChI
InChI=1S/C7H12F2/c1-6-3-2-4-7(8,9)5-6/h6H,2-5H2,1H3
InChIKey
ZGCJYCWVWYQKEE-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1)(F)F
Isomeric Smiles
C1(CC(CCC1)C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4412873
LogD (pH = 7.4)
2.4412873
Log P
2.4412873
Molar Refractivity
32.7504
Polarizability
12.371985
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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