Molecule

ID:93115

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₉F₂NO₄
Molecular Mass
423.4087664
Exact Mass
423.12821453
Charge
0
InChI
InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey
UYEQBZISDRNPFC-QFIPXVFZSA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)Cc1cc(F)cc(c1)F)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
O(CC1c2c(cccc2)c2c1cccc2)C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7144682
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2022188
LogD (pH = 7.4)
1.6874596
Log P
4.987047
Molar Refractivity
109.6289
Polarizability
42.92229
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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