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Rifaximin


  • SKU Code: CH136967
Chemical Name - Rifaximin
Mol Weight - 785.888
Smiles - C[C@@H]([C@H]([C@@H](C)[C@@H]([C@H](C)[C@H](/C=C/O[C@](C)(C(c1c2c3c4n(ccc(C)c5)c5n3)=O)Oc1c(C)c(O)c2c(O)c4NC(/C(/C)=CC=C[C@@H]1C)=O)OC)OC(C)=O)O)[C@H]1O
Property Name Property Value
Mol NameRifaximin
Molweight785.888
Monoisotopic Mass785.352362
Clogp5.8431
Clogs-9.904
H Acceptors14
H Donors5
Total Surface Area580.3
Relative Psa0.27899
Polar Surface Area198.38
Druglikeness6.1953
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.33333
Molecular Flexibility0.24849
Molecular Complexity1.0927
Fragments1
Non H Atoms57
Non Ch Atoms14
Electronegative Atoms14
Stereo Centers9
Rotatable Bonds3
Rings Closures6
Small Rings5
Aromatic Rings4
Aromatic Atoms17
Sp3 Atoms27
Amides1
Aromatic Nitrogens2
Basic Nitrogens1
SmilesC[C@@H]([C@H]([C@@H](C)[C@@H]([C@H](C)[C@H](/C=C/O[C@](C)(C(c1c2c3c4n(ccc(C)c5)c5n3)=O)Oc1c(C)c(O)c2c(O)c4NC(/C(/C)=CC=C[C@@H]1C)=O)OC)OC(C)=O)O)[C@H]1O
InChIC43H51N3O11

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