Molecule

ID:23520

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃FN₂O₂
Molecular Mass
330.3965232
Exact Mass
330.17435621
Charge
0
InChI
InChI=1S/C19H23FN2O2/c1-4-19(2,3)13-5-8-15(9-6-13)24-12-18(23)22-17-11-14(21)7-10-16(17)20/h5-11H,4,12,21H2,1-3H3,(H,22,23)
InChIKey
DTXLXARCLGLASV-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1cc(N)ccc1F)(C)C
Isomeric Smiles
c1(NC(=O)COc2ccc(C(CC)(C)C)cc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.1610565
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.027195
LogD (pH = 7.4)
4.0311375
Log P
4.0312605
Molar Refractivity
95.0668
Polarizability
35.402187
Polar Surface Area
64.35
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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