Molecule

ID:11151

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉FN₂O₄
Molecular Mass
370.3742632
Exact Mass
370.13288532
Charge
0
InChI
InChI=1S/C20H19FN2O4/c1-27-16-8-4-13(5-9-16)17-12-18(14-2-6-15(21)7-3-14)23(22-17)19(24)10-11-20(25)26/h2-9,18H,10-12H2,1H3,(H,25,26)
InChIKey
DYTZNOMYFZLYRH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O
Isomeric Smiles
O=C(CCC(=O)N1N=C(CC1c1ccc(cc1)F)c1ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
3.8408787
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.0471485
LogD (pH = 7.4)
-0.5330622
Log P
2.7102568
Molar Refractivity
96.2765
Polarizability
36.752045
Polar Surface Area
79.2
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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