Molecule

ID:97563

General Information
Structure
Molecular Formula
C₁₁H₉F₃N₂
Molecular Mass
226.1977696
Exact Mass
226.07178296
Charge
0
InChI
InChI=1S/C11H9F3N2/c1-8-7-10(11(12,13)14)15-16(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
LCAPJOUZZHOYRU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1c1ccccc1)C(F)(F)F
Isomeric Smiles
n1(c2ccccc2)nc(cc1C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.522323
LogD (pH = 7.4)
3.5223243
Log P
3.5223246
Molar Refractivity
55.1711
Polarizability
20.212587
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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