Molecule

ID:8252

General Information
Structure
Molecular Formula
C₁₀H₆F₃NO
Molecular Mass
213.1559496
Exact Mass
213.04014848
Charge
0
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(4-8)9-5-14-6-15-9/h1-6H
InChIKey
VZPSLWXHNGQMCO-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)c1cnco1)(F)F
Isomeric Smiles
c1cc(cc(c1)c1cnco1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3602064
LogD (pH = 7.4)
2.360212
Log P
2.360212
Molar Refractivity
47.7548
Polarizability
18.336044
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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