Chemical Name - Prednisolone
Mol Weight - 360.448
Smiles - C[C@](C[C@@H]1O)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C=C1)C3=CC1=O)[C@]2(C(CO)=O)O
Mol Weight - 360.448
Smiles - C[C@](C[C@@H]1O)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C=C1)C3=CC1=O)[C@]2(C(CO)=O)O
| Property Value | |
| Mol Name | Prednisolone |
| Molweight | 360.448 |
| Monoisotopic Mass | 360.193675 |
| Clogp | 1.1414 |
| Clogs | -2.958 |
| H Acceptors | 5 |
| H Donors | 3 |
| Total Surface Area | 253.57 |
| Relative Psa | 0.25784 |
| Polar Surface Area | 94.83 |
| Druglikeness | 4.0984 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.18272 |
| Molecular Complexity | 0.98993 |
| Fragments | 1 |
| Non H Atoms | 26 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 7 |
| Rotatable Bonds | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3 Atoms | 18 |
| Smiles | C[C@](C[C@@H]1O)([C@@H](CC2)[C@H](CC3)[C@H]1[C@@](C)(C=C1)C3=CC1=O)[C@]2(C(CO)=O)O |
| InChIKey | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+/m1/s1 |
| InChI | OIGNJSKKLXVSLS-BMXPDEKXSA-N |
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