Molecule

ID:23256

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂
Molecular Mass
288.3167832
Exact Mass
288.12740601
Charge
0
InChI
InChI=1S/C16H17FN2O2/c1-10-3-4-11(2)15(7-10)21-9-16(20)19-14-8-12(18)5-6-13(14)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKey
SHRLQLFULDCUHE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1cc(C)ccc1C
Isomeric Smiles
c1(NC(=O)COc2c(ccc(c2)C)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161041
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0644836
LogD (pH = 7.4)
3.0683563
Log P
3.0684786
Molar Refractivity
81.8823
Polarizability
29.817942
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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