Molecule
ID:121165
General Information
Molecular Formula
C₁₁H₁₃FN₂O₂
Molecular Mass
224.2315232
Exact Mass
224.09610589
Charge
0
InChI
InChI=1S/C11H13FN2O2/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2
InChIKey
GJYXSBFPHQLUOC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(N)ccc1F)N1CCOCC1
Isomeric Smiles
c1(C(=O)N2CCOCC2)c(ccc(c1)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.36542237
LogD (pH = 7.4)
0.36650002
Log P
0.36651376
Molar Refractivity
58.9211
Polarizability
21.377426
Polar Surface Area
55.56
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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