Molecule

ID:8615

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)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
InChIKey
WZBWBNCQUTXYEL-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1n1cncc1)(F)F
Isomeric Smiles
n1(c2c(cccc2)C(F)(F)F)cncc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1398673
LogD (pH = 7.4)
2.582027
Log P
2.6142588
Molar Refractivity
59.9801
Polarizability
18.478657
Polar Surface Area
17.82
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
References
Bioactivity
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