Molecule

ID:63970

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃F₂NO₄
Molecular Mass
343.3656264
Exact Mass
343.15951466
Charge
0
InChI
InChI=1S/C17H23F2NO4/c1-3-23-15(21)10-11-20(12-14-8-6-5-7-9-14)13-17(18,19)16(22)24-4-2/h5-9H,3-4,10-13H2,1-2H3
InChIKey
QMSSIOMZIPGJDB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN(CC(C(=O)OCC)(F)F)Cc1ccccc1
Isomeric Smiles
C(F)(F)(CN(Cc1ccccc1)CCC(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8560562
LogD (pH = 7.4)
3.113542
Log P
3.118047
Molar Refractivity
85.3229
Polarizability
33.14575
Polar Surface Area
55.84
Rotatable Bonds
12
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
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References
Bioactivity
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