Molecule

ID:61633

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃FN₂O₃
Molecular Mass
358.4066232
Exact Mass
358.16927083
Charge
0
InChI
InChI=1S/C20H23FN2O3/c21-17-6-8-18(9-7-17)22-15-20(25)10-12-23(13-11-20)19(24)26-14-16-4-2-1-3-5-16/h1-9,22,25H,10-15H2
InChIKey
FMUNMRJZIXHJIO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCC1(O)CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
C(=O)(N1CCC(CC1)(CNc1ccc(F)cc1)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.323296
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.396465
LogD (pH = 7.4)
2.4195547
Log P
2.4198573
Molar Refractivity
98.6086
Polarizability
37.25787
Polar Surface Area
61.8
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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