Molecule

ID:23301

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-3-12-4-7-14(8-5-12)22-11(2)17(21)20-16-10-13(19)6-9-15(16)18/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKey
FAOLUHGCWZIELD-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1ccc(cc1)CC)C
Calculated Properties
JChem
Acid pKa
11.098611
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5639863
LogD (pH = 7.4)
3.5682516
Log P
3.5683901
Molar Refractivity
85.936
Polarizability
31.727718
Polar Surface Area
64.35
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
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Molecule Details
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References
Bioactivity
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