Molecule
ID:96193
General Information
Molecular Formula
C₁₉H₁₇ClF₃NO₂
Molecular Mass
383.7919896
Exact Mass
383.08999113
Charge
0
InChI
InChI=1S/C19H17ClF3NO2/c1-11-5-7-16(14-4-2-3-13(11)14)26-17-8-6-12(19(21,22)23)9-15(17)24-18(25)10-20/h5-9H,2-4,10H2,1H3,(H,24,25)
InChIKey
TXYWRAWPGIYDFX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(ccc1Oc1ccc(c2c1CCC2)C)C(F)(F)F
Isomeric Smiles
O(c1ccc(c2c1CCC2)C)c1ccc(cc1NC(=O)CCl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.765474
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.6475425
LogD (pH = 7.4)
5.647525
Log P
5.6475425
Molar Refractivity
95.8111
Polarizability
34.878757
Polar Surface Area
38.33
Rotatable Bonds
5
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
No Data Available
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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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