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2D Structure

Tilmicosin


  • SKU Code: CH139941
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Chemical Name - Tilmicosin
Mol Weight - 869.142
Smiles - CC[C@H]([C@@H](CO[C@@H]([C@@H]([C@@H]1OC)OC)O[C@H](C)[C@H]1O)/C=C(C)/C=C/C([C@H](C)C[C@H](CCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]([C@@H](C)[C@@H](C1)O)O[C@@H]([C@@H]([C@H]2N(C)C)O)O[C@H](C)[C@H]2O)=O)OC1=O
Property Name Property Value
Mol NameTilmicosin
Molweight869.142
Monoisotopic Mass868.566043
Clogp3.9054
Clogs-4.215
H Acceptors15
H Donors4
Total Surface Area670.67
Relative Psa0.23198
Polar Surface Area186.15
Druglikeness8.3596
Mutagenicnone
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Shape Index0.36066
Molecular Flexibility0.41043
Molecular Complexity0.96969
Fragments1
Non H Atoms61
Non Ch Atoms15
Electronegative Atoms15
Stereo Centers19
Rotatable Bonds12
Rings Closures4
Small Rings3
Sp3 Atoms53
Symmetric Atoms1
Amines2
Alkyl Amines2
Basic Nitrogens2
SmilesCC[C@H]([C@@H](CO[C@@H]([C@@H]([C@@H]1OC)OC)O[C@H](C)[C@H]1O)/C=C(C)/C=C/C([C@H](C)C[C@H](CCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]([C@@H](C)[C@@H](C1)O)O[C@@H]([C@@H]([C@H]2N(C)C)O)O[C@H](C)[C@H]2O)=O)OC1=O
InChIKeyInChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(
InChIJTSDBFGMPLKDCD-XDLHEDMTSA-N

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