Molecule

ID:51389

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃
Molecular Mass
250.2589296
Exact Mass
250.09693508
Charge
0
InChI
InChI=1S/C15H13F3/c1-14(15(16,17)18,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
BZLSCVAPEFKLSB-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(C(c1ccccc1)(c1ccccc1)C)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0165334
LogD (pH = 7.4)
5.0165334
Log P
5.0165334
Molar Refractivity
76.2458
Polarizability
24.464958
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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