Molecule

ID:96260

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈F₆N₂O₂
Molecular Mass
372.3060392
Exact Mass
372.12724715
Charge
0
InChI
InChI=1S/C15H18F6N2O2/c1-3-4-9-25-12(24)23-13(14(16,17)18,15(19,20)21)22-11-8-6-5-7-10(11)2/h5-8,22H,3-4,9H2,1-2H3,(H,23,24)
InChIKey
VXUFBRMIFFBGRW-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1ccccc1C
Isomeric Smiles
N(C(C(F)(F)F)(C(F)(F)F)Nc1c(cccc1)C)C(=O)OCCCC
Calculated Properties
JChem
Acid pKa
7.923421
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3934064
LogD (pH = 7.4)
5.2896814
Log P
5.394876
Molar Refractivity
79.9292
Polarizability
28.842361
Polar Surface Area
50.36
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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