Molecule

ID:12185

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₃N
Molecular Mass
133.0712896
Exact Mass
133.01393373
Charge
0
InChI
InChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
InChIKey
UZDRWXKBKVVUTE-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)nc(c1)F
Isomeric Smiles
c1c(nc(cc1F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9715406
LogD (pH = 7.4)
1.9715406
Log P
1.9715406
Molar Refractivity
26.5797
Polarizability
8.881889
Polar Surface Area
12.89
Rotatable Bonds
0
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
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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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