Molecule

ID:96775

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁F₆NO₂
Molecular Mass
363.2544592
Exact Mass
363.06939792
Charge
0
InChI
InChI=1S/C16H11F6NO2/c1-23(2)12-9-6-4-3-5-8(9)10(13(24)15(17,18)19)7-11(12)14(25)16(20,21)22/h3-7H,1-2H3
InChIKey
LUIHEIKCAQBALE-UHFFFAOYSA-N
Canonic Smiles
CN(c1c2ccccc2c(cc1C(=O)C(F)(F)F)C(=O)C(F)(F)F)C
Isomeric Smiles
N(c1c(cc(c2ccccc12)C(=O)C(F)(F)F)C(=O)C(F)(F)F)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4507146
LogD (pH = 7.4)
4.450719
Log P
4.450719
Molar Refractivity
79.7628
Polarizability
28.863405
Polar Surface Area
37.38
Rotatable Bonds
5
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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