Molecule

ID:32074

General Information
Structure
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Molecular Formula
C₅H₃F₃N₂
Molecular Mass
148.0859296
Exact Mass
148.02483277
Charge
0
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-3-9-1-2-10-4/h1-3H
InChIKey
CEAMSISEJZMQEP-UHFFFAOYSA-N
Canonic Smiles
FC(c1nccnc1)(F)F
Isomeric Smiles
c1(cnccn1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8015993
LogD (pH = 7.4)
0.80159974
Log P
0.80159974
Molar Refractivity
27.3459
Polarizability
9.983392
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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