Molecule

ID:23216

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂
Molecular Mass
302.3433632
Exact Mass
302.14305608
Charge
0
InChI
InChI=1S/C17H19FN2O2/c1-11(2)13-5-3-4-6-16(13)22-10-17(21)20-15-9-12(19)7-8-14(15)18/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKey
RCINCDJGGJUNNQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccccc1C(C)C
Isomeric Smiles
c1(NC(=O)COc2c(C(C)C)cccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.16104
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.282733
LogD (pH = 7.4)
3.2865238
Log P
3.286645
Molar Refractivity
85.9907
Polarizability
31.728598
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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