Molecule
ID:96227
General Information
Molecular Formula
C₁₉H₉F₆NO₂
Molecular Mass
397.2706792
Exact Mass
397.05374785
Charge
0
InChI
InChI=1S/C19H9F6NO2/c20-10-4-1-3-9(7-10)19(27)26-11-5-2-6-12(8-11)28-18-16(24)14(22)13(21)15(23)17(18)25/h1-8H,(H,26,27)
InChIKey
DQRCGXICIILJMX-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)c1cccc(c1)NC(=O)c1cccc(c1)F
Calculated Properties
JChem
Acid pKa
11.205397
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.4216285
LogD (pH = 7.4)
5.421565
Log P
5.4216294
Molar Refractivity
89.1307
Polarizability
31.772688
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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