Molecule

ID:23527

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-3-11(2)22-14-7-4-12(5-8-14)17(21)20-16-10-13(19)6-9-15(16)18/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKey
ZBMYAOGAIAEXJQ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1ccc(OC(CC)C)cc1
Calculated Properties
JChem
Acid pKa
10.920205
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5136433
LogD (pH = 7.4)
3.5169706
Log P
3.5171406
Molar Refractivity
86.6629
Polarizability
31.778757
Polar Surface Area
64.35
Rotatable Bonds
5
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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