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
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 Value | |
| Mol Name | Clarithromycin |
| Molweight | 747.96 |
| Monoisotopic Mass | 747.476894 |
| Clogp | 2.0998 |
| Clogs | -3.773 |
| H Acceptors | 14 |
| H Donors | 4 |
| Total Surface Area | 559.61 |
| Relative Psa | 0.27167 |
| Polar Surface Area | 182.91 |
| Druglikeness | 11.057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.28846 |
| Molecular Flexibility | 0.37396 |
| Molecular Complexity | 0.99715 |
| Fragments | 1 |
| Non H Atoms | 52 |
| Non Ch Atoms | 14 |
| Electronegative Atoms | 14 |
| Stereo Centers | 18 |
| Rotatable Bonds | 8 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Sp3 Atoms | 48 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| 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 |
| InChIKey | InChI=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 |
| InChI | AGOYDEPGAOXOCK-GRODHJMLSA-N |
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1 - Clarithromycin
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1 - Clarithromycin
2 - Clarithromycin
| |spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off |