Molecule

ID:23239

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₂
Molecular Mass
274.2902032
Exact Mass
274.11175595
Charge
0
InChI
InChI=1S/C15H15FN2O2/c1-10-4-2-3-5-14(10)20-9-15(19)18-13-8-11(17)6-7-12(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
SXWCQYMYYANNLA-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccccc1C
Isomeric Smiles
c1(NC(=O)COc2c(C)cccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161041
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5511081
LogD (pH = 7.4)
2.5549355
Log P
2.555057
Molar Refractivity
76.8411
Polarizability
28.058092
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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