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Chem Ketoprofen Lysine Unilink | Cheminformatics

Ketoprofen (lysine)


  • SKU Code: CH139894
Chemical Name - Ketoprofen (lysine)
Mol Weight - 254.284
Smiles - CC(C(O)=O)c1cccc(C(c2ccccc2)=O)c1.NCCCC[C@@H](C(O)=O)N
Property Name Property Value
Mol NameKetoprofen (lysine)
Molweight254.284
Monoisotopic Mass254.094295
Clogp2.7003
Clogs-4.062
H Acceptors3
H Donors1
Total Surface Area199.63
Relative Psa0.19626
Polar Surface Area54.37
Druglikeness0.41431
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.57895
Molecular Flexibility0.51074
Molecular Complexity0.66621
Fragments2
Non H Atoms19
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms3
Symmetric Atoms2
Acidic Oxygens1
SmilesCC(C(O)=O)c1cccc(C(c2ccccc2)=O)c1.NCCCC[C@@H](C(O)=O)N
InChIKeyInChI=1S/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
InChIVHIORVCHBUEWEP-ZSCHJXSPSA-N

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