Molecule

ID:98513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₃N
Molecular Mass
203.2041896
Exact Mass
203.09218405
Charge
0
InChI
InChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3/t7-/m1/s1
InChIKey
HJCYBPVJJPKIFJ-SSDOTTSWSA-N
Canonic Smiles
CN[C@@H](c1ccc(cc1)C(F)(F)F)C
Isomeric Smiles
N([C@@H](c1ccc(cc1)C(F)(F)F)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.363578
LogD (pH = 7.4)
0.63060707
Log P
2.826018
Molar Refractivity
49.6985
Polarizability
18.406736
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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