Molecule

ID:38617

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀FNO₄
Molecular Mass
357.3755032
Exact Mass
357.13763635
Charge
0
InChI
InChI=1S/C20H20FNO4/c1-20(2,21)17(18(23)24)22-19(25)26-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
DYIMQSXNKQSKCE-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C(F)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(C(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)(C)(F)C
Calculated Properties
JChem
Acid pKa
3.9729853
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.051216
LogD (pH = 7.4)
0.4122905
Log P
3.5866506
Molar Refractivity
93.4857
Polarizability
37.370235
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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