Molecule

ID:123275

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀FN₃O₄
Molecular Mass
337.3461032
Exact Mass
337.14378436
Charge
0
InChI
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKey
TYZROVQLWOKYKF-CYBMUJFWSA-N
Canonic Smiles
CC(=O)NC[C@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
Isomeric Smiles
C1(=O)N(c2cc(c(N3CCOCC3)cc2)F)C[C@H](O1)CNC(=O)C
Calculated Properties
JChem
Acid pKa
14.453722
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.6366634
LogD (pH = 7.4)
0.6366636
Log P
0.6366637
Molar Refractivity
84.4748
Polarizability
32.025
Polar Surface Area
71.11
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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