Molecule

ID:8066

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKey
SPSWJTZNOXMMMV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)N)F
Isomeric Smiles
c1(c(c(cc(c1F)F)F)F)N
Calculated Properties
JChem
Acid pKa
12.879425
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7151276
LogD (pH = 7.4)
1.7151263
Log P
1.7151276
Molar Refractivity
31.624
Polarizability
10.760454
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
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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