Molecule
ID:66075
General Information
Molecular Formula
C₁₇H₉F₃
Molecular Mass
270.2485696
Exact Mass
270.06563495
Charge
0
InChI
InChI=1S/C17H9F3/c18-17(19,20)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey
YRRQUIYPXGNJKG-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c3c1ccc1c3c(cc2)ccc1)(F)F
Isomeric Smiles
c1(ccc2ccc3cccc4ccc1c2c34)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.161776
LogD (pH = 7.4)
5.161776
Log P
5.161776
Molar Refractivity
72.6963
Polarizability
30.301077
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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