Molecule

ID:59445

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₃N₂
Molecular Mass
150.1018096
Exact Mass
150.04048283
Charge
0
InChI
InChI=1S/C5H5F3N2/c1-3-9-2-4(10-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey
UTUSYSDVLOWRJA-UHFFFAOYSA-N
Canonic Smiles
FC(c1nc([nH]c1)C)(F)F
Isomeric Smiles
c1(nc(c[nH]1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
12.118882
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1572154
LogD (pH = 7.4)
1.240354
Log P
1.2415394
Molar Refractivity
29.0552
Polarizability
10.347861
Polar Surface Area
28.68
Rotatable Bonds
1
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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