Molecule

ID:58855

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃N
Molecular Mass
147.0978696
Exact Mass
147.02958379
Charge
0
InChI
InChI=1S/C6H4F3N/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H
InChIKey
HQURWUNRSQARIS-UHFFFAOYSA-N
Canonic Smiles
Fc1nccc(c1)C(F)F
Isomeric Smiles
c1(cc(ccn1)C(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6812938
LogD (pH = 7.4)
1.681294
Log P
1.681294
Molar Refractivity
30.2162
Polarizability
10.682751
Polar Surface Area
12.89
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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