Molecule

ID:95226

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁F₃N₂
Molecular Mass
192.1815496
Exact Mass
192.08743302
Charge
0
InChI
InChI=1S/C8H11F3N2/c1-5(2)13-4-6(3)7(12-13)8(9,10)11/h4-5H,1-3H3
InChIKey
OXTAAXVCDQASCZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(nc1C(F)(F)F)C(C)C
Isomeric Smiles
n1c(c(cn1C(C)C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.951608
LogD (pH = 7.4)
2.9516091
Log P
2.9516091
Molar Refractivity
54.7717
Polarizability
15.5868435
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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