Molecule

ID:67287

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄FNO₃
Molecular Mass
417.4720632
Exact Mass
417.17402185
Charge
0
InChI
InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
InChIKey
SNPBHOICIJUUFB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C(C(C(=O)C(C)C)C(=O)Nc1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(C(C(=O)C(C)C)C(C(=O)c1ccc(cc1)F)c1ccccc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
9.180005
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.917286
LogD (pH = 7.4)
5.910233
Log P
5.9173765
Molar Refractivity
119.5615
Polarizability
45.21688
Polar Surface Area
63.24
Rotatable Bonds
8
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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