Molecule

ID:93878

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₃N₃
Molecular Mass
191.1537296
Exact Mass
191.06703193
Charge
0
InChI
InChI=1S/C7H8F3N3/c1-12-6-5(11)2-4(3-13-6)7(8,9)10/h2-3H,11H2,1H3,(H,12,13)
InChIKey
RLRUNZFXEAZVIT-UHFFFAOYSA-N
Canonic Smiles
CNc1ncc(cc1N)C(F)(F)F
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)N)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.34155473
LogD (pH = 7.4)
0.857774
Log P
0.8717316
Molar Refractivity
45.0825
Polarizability
14.85071
Polar Surface Area
50.94
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
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Molecule Details
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References
Bioactivity
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