Molecule

ID:8131

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃N
Molecular Mass
147.0978696
Exact Mass
147.02958379
Charge
0
InChI
InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey
QMYVWJVVVMIBMM-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(cc1N)F
Isomeric Smiles
Fc1c(cc(c(c1)F)N)F
Calculated Properties
JChem
Acid pKa
18.051485
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5724143
LogD (pH = 7.4)
1.5724255
Log P
1.5724257
Molar Refractivity
31.4076
Polarizability
10.802291
Polar Surface Area
26.02
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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