Molecule
ID:29903
General Information
Molecular Formula
C₁₀H₇F₃
Molecular Mass
184.1577896
Exact Mass
184.04998488
Charge
0
InChI
InChI=1S/C10H7F3/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2
InChIKey
PCPRMODISMAALW-UHFFFAOYSA-N
Canonic Smiles
FC(C1=CCc2c1cccc2)(F)F
Isomeric Smiles
C1C=C(c2ccccc12)C(F)(F)F
Calculated Properties
JChem
Acid pKa
18.381279
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3655314
LogD (pH = 7.4)
3.3655314
Log P
3.3655314
Molar Refractivity
45.2703
Polarizability
16.00791
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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