Molecule

ID:66161

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂F₃N
Molecular Mass
299.2897896
Exact Mass
299.09218405
Charge
0
InChI
InChI=1S/C18H12F3N/c19-18(20,21)15-11-16(13-7-3-1-4-8-13)22-17(12-15)14-9-5-2-6-10-14/h1-12H
InChIKey
HYLGDGCHYKAAAM-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nc(c1)c1ccccc1)c1ccccc1)(F)F
Isomeric Smiles
c1(cc(cc(n1)c1ccccc1)C(F)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6947823
LogD (pH = 7.4)
5.6995125
Log P
5.699573
Molar Refractivity
79.4032
Polarizability
32.20571
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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