Molecule

ID:23306

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-10-5-4-6-11(2)16(10)22-12(3)17(21)20-15-9-13(19)7-8-14(15)18/h4-9,12H,19H2,1-3H3,(H,20,21)
InChIKey
BRZHOWPFTOZRGK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)C(Oc1c(C)cccc1C)C)F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C(Oc1c(cccc1C)C)C
Calculated Properties
JChem
Acid pKa
11.098597
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.633118
LogD (pH = 7.4)
3.637108
Log P
3.6372428
Molar Refractivity
86.3762
Polarizability
31.655258
Polar Surface Area
64.35
Rotatable Bonds
4
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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