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2D Structure

Clarithromycin


  • SKU Code: CH139936
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Chemical Name - Clarithromycin
Mol Weight - 747.96
Smiles - CC[C@H]([C@](C)([C@@H]([C@@H](C)C([C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@H]1C)O[C@@H](C[C@@]2(C)OC)O[C@@H](C)[C@@H]2O)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)OC)=O)O)O)OC1=O
Property Name Property Value
Mol NameClarithromycin
Molweight747.96
Monoisotopic Mass747.476894
Clogp2.0998
Clogs-3.773
H Acceptors14
H Donors4
Total Surface Area559.61
Relative Psa0.27167
Polar Surface Area182.91
Druglikeness11.057
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.28846
Molecular Flexibility0.37396
Molecular Complexity0.99715
Fragments1
Non H Atoms52
Non Ch Atoms14
Electronegative Atoms14
Stereo Centers18
Rotatable Bonds8
Rings Closures3
Small Rings2
Sp3 Atoms48
Symmetric Atoms1
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC[C@H]([C@](C)([C@@H]([C@@H](C)C([C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@H]1C)O[C@@H](C[C@@]2(C)OC)O[C@@H](C)[C@@H]2O)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)OC)=O)O)O)OC1=O
InChIKeyInChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,4
InChIAGOYDEPGAOXOCK-GRODHJMLSA-N

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