Molecule

ID:70519

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₁F₅N₂O₂
Molecular Mass
394.294856
Exact Mass
394.0740687
Charge
0
InChI
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
InChIKey
WYEHFWKAOXOVJD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(=O)(c1cccnc1Oc1cc(ccc1)C(F)(F)F)Nc1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
8.421474
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1049557
LogD (pH = 7.4)
5.068026
Log P
5.1054554
Molar Refractivity
92.3954
Polarizability
33.01755
Polar Surface Area
51.22
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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