Chemical Name - Azithromycin
Mol Weight - 748.992
Smiles - CC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H](C(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)O)O)O)OC1=O
Mol Weight - 748.992
Smiles - CC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H](C(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)O)O)O)OC1=O
| Property Value | |
| Mol Name | Azithromycin |
| Molweight | 748.992 |
| Monoisotopic Mass | 748.508528 |
| Clogp | 1.6569 |
| Clogs | -3.094 |
| H Acceptors | 14 |
| H Donors | 5 |
| Total Surface Area | 562.27 |
| Relative Psa | 0.25902 |
| Polar Surface Area | 180.08 |
| Druglikeness | 13.854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.28846 |
| Molecular Flexibility | 0.38279 |
| Molecular Complexity | 0.9851 |
| Fragments | 1 |
| Non H Atoms | 52 |
| Non Ch Atoms | 14 |
| Electronegative Atoms | 14 |
| Stereo Centers | 18 |
| Rotatable Bonds | 7 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Sp3 Atoms | 50 |
| Symmetric Atoms | 1 |
| Amines | 2 |
| Alkyl Amines | 2 |
| Basic Nitrogens | 2 |
| Smiles | CC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H](C(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)O)O)O)OC1=O |
| InChIKey | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H |
| InChI | MQTOSJVFKKJCRP-HDGVBWQLSA-N |
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1 - Azithromycin
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1 - Azithromycin
2 - Azithromycin
| |spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off |