Molecule
ID:96272
General Information
Molecular Formula
C₁₉H₉ClF₅NO₂
Molecular Mass
413.725276
Exact Mass
413.02419731
Charge
0
InChI
InChI=1S/C19H9ClF5NO2/c20-10-6-4-9(5-7-10)19(27)26-11-2-1-3-12(8-11)28-18-16(24)14(22)13(21)15(23)17(18)25/h1-8H,(H,26,27)
InChIKey
WZZOQNOZBIMGJC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)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)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.3988
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.882972
LogD (pH = 7.4)
5.8829308
Log P
5.8829722
Molar Refractivity
93.7191
Polarizability
33.901245
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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