Molecule

ID:8133

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃N
Molecular Mass
147.0978696
Exact Mass
147.02958379
Charge
0
InChI
InChI=1S/C6H4F3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
InChIKey
RGUGZPYYMOAJLO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)N)F
Isomeric Smiles
c1cc(c(c(c1F)F)N)F
Calculated Properties
JChem
Acid pKa
13.761122
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5724257
LogD (pH = 7.4)
1.5724255
Log P
1.5724257
Molar Refractivity
31.4076
Polarizability
10.803471
Polar Surface Area
26.02
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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