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Capecitabine


  • SKU Code: CH136914
Chemical Name - Capecitabine
Mol Weight - 359.353
Smiles - CCCCCOC(NC(C(F)=CN1[C@@H]([C@@H]2O)O[C@H](C)[C@H]2O)=NC1=O)=O
Property Name Property Value
Mol NameCapecitabine
Molweight359.353
Monoisotopic Mass359.149265
Clogp0.4743
Clogs-3.374
H Acceptors9
H Donors3
Total Surface Area260.05
Relative Psa0.37993
Polar Surface Area120.69
Druglikeness-21.328
Mutagenichigh
Tumorigenicnone
Reproductive Effectivelow
Irritantlow
Shape Index0.64
Molecular Flexibility0.41186
Molecular Complexity0.8512
Fragments1
Non H Atoms25
Non Ch Atoms10
Electronegative Atoms10
Stereo Centers4
Rotatable Bonds6
Rings Closures2
Small Rings2
Sp3 Atoms14
Amides2
Basic Nitrogens1
SmilesCCCCCOC(NC(C(F)=CN1[C@@H]([C@@H]2O)O[C@H](C)[C@H]2O)=NC1=O)=O
InChIC15H22N3O6F

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