Molecule

ID:54512

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂
Molecular Mass
212.1711896
Exact Mass
212.05613289
Charge
0
InChI
InChI=1S/C10H7F3N2/c1-6-2-3-7-4-8(10(11,12)13)5-14-9(7)15-6/h2-5H,1H3
InChIKey
ATPHVXQFNQZKBB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)ncc(c2)C(F)(F)F
Isomeric Smiles
c1(cnc2c(c1)ccc(n2)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2474208
LogD (pH = 7.4)
2.2474508
Log P
2.2474513
Molar Refractivity
49.9604
Polarizability
18.225786
Polar Surface Area
25.78
Rotatable Bonds
1
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
References
Bioactivity
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