Molecule

ID:25931

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇FN₂O₃
Molecular Mass
340.3482832
Exact Mass
340.12232063
Charge
0
InChI
InChI=1S/C19H17FN2O3/c1-24-17-8-7-13(9-18(17)25-2)19-15(12-23)11-22(21-19)10-14-5-3-4-6-16(14)20/h3-9,11-12H,10H2,1-2H3
InChIKey
OEHUYSSVTGORJE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1F
Isomeric Smiles
c1(c(nn(c1)Cc1c(F)cccc1)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
36.027077
Polar Surface Area
53.35
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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