Molecule

ID:6626

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)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
InChIKey
QZOOIAOULGJTJI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1ccc(c2)C(F)(F)F
Isomeric Smiles
c1nc2c(c(c1)N)ccc(c2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.89822716
LogD (pH = 7.4)
1.7718326
Log P
2.179823
Molar Refractivity
50.6534
Polarizability
19.079903
Polar Surface Area
38.91
Rotatable Bonds
1
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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