Molecule

ID:30817

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₃N₃
Molecular Mass
215.1751296
Exact Mass
215.06703193
Charge
0
InChI
InChI=1S/C9H8F3N3/c1-15-7-3-2-5(13)4-6(7)14-8(15)9(10,11)12/h2-4H,13H2,1H3
InChIKey
JHAVOBMDLQGPNO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2C)C(F)(F)F
Isomeric Smiles
c1(nc2c(n1C)ccc(c2)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.88415
LogD (pH = 7.4)
1.9093163
Log P
1.9096475
Molar Refractivity
50.0165
Polarizability
18.630455
Polar Surface Area
43.84
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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