Molecule

ID:71183

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₀FNO₅
Molecular Mass
421.4177032
Exact Mass
421.13255097
Charge
0
InChI
InChI=1S/C24H20FNO5/c1-30-22-14-17(11-12-21(22)31-15-16-7-3-2-4-8-16)13-19(25)23(27)26-20-10-6-5-9-18(20)24(28)29/h2-14H,15H2,1H3,(H,26,27)(H,28,29)/b19-13-
InChIKey
XOYYXNJVCSSNBQ-UYRXBGFRSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccccc1)/C=C(/C(=O)Nc1ccccc1C(=O)O)\F
Isomeric Smiles
C(=O)(c1c(cccc1)NC(=O)/C(=C/c1cc(c(cc1)OCc1ccccc1)OC)/F)O
Calculated Properties
JChem
Acid pKa
3.5456064
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.2669227
LogD (pH = 7.4)
1.8534468
Log P
5.214711
Molar Refractivity
116.3353
Polarizability
43.138287
Polar Surface Area
84.86
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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