Molecule
ID:29974
General Information
Molecular Formula
C₅H₇F₃
Molecular Mass
124.1042896
Exact Mass
124.04998488
Charge
0
InChI
InChI=1S/C5H7F3/c6-5(7,8)4-2-1-3-4/h4H,1-3H2
InChIKey
GHVOECJFQKLZHU-UHFFFAOYSA-N
Canonic Smiles
FC(C1CCC1)(F)F
Isomeric Smiles
C1CCC1C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3425882
LogD (pH = 7.4)
2.3425882
Log P
2.3425882
Molar Refractivity
23.8105
Polarizability
8.730743
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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