Molecule

ID:8040

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₄N
Molecular Mass
189.1097328
Exact Mass
189.02016198
Charge
0
InChI
InChI=1S/C8H3F4N/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10/h1-2,13H
InChIKey
DTNBMVQXEVNTLO-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c2c(c1F)[nH]cc2
Isomeric Smiles
c1(c(c(c2c(c1F)[nH]cc2)F)F)F
Calculated Properties
JChem
Acid pKa
14.51342
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.6428156
LogD (pH = 7.4)
2.6428156
Log P
2.6428156
Molar Refractivity
38.0101
Polarizability
14.489197
Polar Surface Area
15.79
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
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References
Bioactivity
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