Molecule

ID:38016

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅F₂N₃O₃
Molecular Mass
347.3161064
Exact Mass
347.1081478
Charge
0
InChI
InChI=1S/C17H15F2N3O3/c1-3-25-17(23)11-9-20-22-13(15(18)19)8-12(21-16(11)22)10-6-4-5-7-14(10)24-2/h4-9,15H,3H2,1-2H3
InChIKey
XFZAKTOOFRPCIX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1OC
Isomeric Smiles
c12n(c(cc(n1)c1c(OC)cccc1)C(F)F)ncc2C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1977494
LogD (pH = 7.4)
3.197751
Log P
3.197751
Molar Refractivity
96.7364
Polarizability
33.433113
Polar Surface Area
65.72
Rotatable Bonds
6
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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