Molecule

ID:65485

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀F₃N
Molecular Mass
273.2525096
Exact Mass
273.07653399
Charge
0
InChI
InChI=1S/C16H10F3N/c17-16(18,19)13-10-15(11-6-2-1-3-7-11)20-14-9-5-4-8-12(13)14/h1-10H
InChIKey
VQIABGRPTYQIDI-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nc2c1cccc2)c1ccccc1)(F)F
Isomeric Smiles
n1c(cc(c2ccccc12)C(F)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0377865
LogD (pH = 7.4)
5.041774
Log P
5.041825
Molar Refractivity
70.7172
Polarizability
28.768646
Polar Surface Area
12.89
Rotatable Bonds
2
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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