Molecule

ID:103990

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄FN₃O₂
Molecular Mass
393.4539632
Exact Mass
393.18525524
Charge
0
InChI
InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKey
HXCNRYXBZNHDNE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2
Isomeric Smiles
Cc1c(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)c(=O)n2ccccc2n1
Calculated Properties
JChem
Acid pKa
16.567078
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.34274617
LogD (pH = 7.4)
2.1082861
Log P
2.8223777
Molar Refractivity
113.7772
Polarizability
41.89418
Polar Surface Area
52.98
Rotatable Bonds
5
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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