Molecule

ID:29781

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₃N₂
Molecular Mass
148.0859296
Exact Mass
148.02483277
Charge
0
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H
InChIKey
CPCHRGFQWZMVNX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncnc1)(F)F
Isomeric Smiles
c1ncc(cn1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.92757964
LogD (pH = 7.4)
0.9275839
Log P
0.92758393
Molar Refractivity
28.696
Polarizability
9.983606
Polar Surface Area
25.78
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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