Molecule

ID:16325

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
IZOIOCQPMHHDHN-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(n1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5559049
LogD (pH = 7.4)
2.5559049
Log P
2.5559049
Molar Refractivity
30.7339
Polarizability
10.682249
Polar Surface Area
12.89
Rotatable Bonds
1
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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