Molecule
ID:25932
General Information
Molecular Formula
C₁₉H₁₇FN₂O₃
Molecular Mass
340.3482832
Exact Mass
340.12232063
Charge
0
InChI
InChI=1S/C19H17FN2O3/c1-24-17-8-5-14(9-18(17)25-2)19-15(12-23)11-22(21-19)10-13-3-6-16(20)7-4-13/h3-9,11-12H,10H2,1-2H3
InChIKey
CUNGKZHYSMLVCT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccc(cc1)F
Isomeric Smiles
c1(c(nn(c1)Cc1ccc(F)cc1)c1cc(c(cc1)OC)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6984918
LogD (pH = 7.4)
3.6985161
Log P
3.6985164
Molar Refractivity
104.065
Polarizability
36.02535
Polar Surface Area
53.35
Rotatable Bonds
6
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
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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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