Molecule

ID:8616

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)8-1-3-9(4-2-8)15-6-5-14-7-15/h1-7H
InChIKey
FUJKJTAYTFLIDA-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)n1cncc1)(F)F
Isomeric Smiles
n1(c2ccc(cc2)C(F)(F)F)cncc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5026636
LogD (pH = 7.4)
2.1057236
Log P
2.1437
Molar Refractivity
59.9801
Polarizability
18.474102
Polar Surface Area
17.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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