Molecule
ID:29796
General Information
Molecular Formula
C₁₃H₉F₃
Molecular Mass
222.2057696
Exact Mass
222.06563495
Charge
0
InChI
InChI=1S/C13H9F3/c14-13(15,16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
OUMKBAHMPRLISR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)c1ccccc1)(F)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4983196
LogD (pH = 7.4)
4.4983196
Log P
4.4983196
Molar Refractivity
57.1679
Polarizability
22.1694
Polar Surface Area
0.0
Rotatable Bonds
2
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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