Molecule

ID:10285

General Information
Structure
Molecular Formula
C₁₀H₆F₃NO
Molecular Mass
213.1559496
Exact Mass
213.04014848
Charge
0
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-6-14-15-9/h1-6H
InChIKey
KFDCOWFJJLNAJD-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1c1ccno1)(F)F
Isomeric Smiles
c1cc(on1)c1c(cccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7828646
LogD (pH = 7.4)
2.7828662
Log P
2.7828662
Molar Refractivity
48.4874
Polarizability
18.342808
Polar Surface Area
26.03
Rotatable Bonds
2
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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