Molecule

ID:100958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂
Molecular Mass
212.1711896
Exact Mass
212.05613289
Charge
0
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H,(H,14,15)
InChIKey
MNOULQLXILYKNV-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)c1n[nH]cc1)(F)F
Isomeric Smiles
n1c(c2ccc(cc2)C(F)(F)F)cc[nH]1
Calculated Properties
JChem
Acid pKa
14.821835
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1881788
LogD (pH = 7.4)
3.1883519
Log P
3.188354
Molar Refractivity
50.4833
Polarizability
19.087051
Polar Surface Area
28.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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