Molecule

ID:23290

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃FN₂O₂
Molecular Mass
330.3965232
Exact Mass
330.17435621
Charge
0
InChI
InChI=1S/C19H23FN2O2/c1-2-3-4-7-12-24-18-9-6-5-8-15(18)19(23)22-17-13-14(21)10-11-16(17)20/h5-6,8-11,13H,2-4,7,12,21H2,1H3,(H,22,23)
InChIKey
DUZBYDDIBYNNOK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(c1c(OCCCCCC)cccc1)Nc1cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
10.326833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.4304295
LogD (pH = 7.4)
4.4337296
Log P
4.434272
Molar Refractivity
96.0471
Polarizability
35.457985
Polar Surface Area
64.35
Rotatable Bonds
8
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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