Mol Weight - 395.264
Smiles - [O-][N+](c(cc1[N+]([O-])=O)cc2c1Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1S2=O)=O
| Property Name | Property Value |
| Mol Name | 1,3,7,9-Tetranitrophenothiazine,5-oxide |
| Molweight | 395.264 |
| Monoisotopic Mass | 394.9808 |
| Clogp | -1.0094 |
| Clogs | -5.68 |
| H Acceptors | 14 |
| H Donors | 1 |
| Total Surface Area | 248.38 |
| Relative Psa | 0.62751 |
| Polar Surface Area | 231.59 |
| Druglikeness | -6.2918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.40741 |
| Molecular Flexibility | 0.3428 |
| Molecular Complexity | 0.90551 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bonds | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Acidic Oxygens | 4 |
| Smiles | [O-][N+](c(cc1[N+]([O-])=O)cc2c1Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1S2=O)=O |
| InChIKey | InChI=1S/C12H5N5O9S/c18-14(19)5-1-7(16(22)23)11-9(3-5)27(26)10-4-6(15(20)21)2-8(17(24)25)12(10)13-11/h1-4,13H |
| InChI | MACCEORDICAAII-UHFFFAOYSA-N |
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1 — 1,3,7,9-Tetranitrophenothiazine,5-oxide | 2 — 1,3,7,9-Tetranitrophenothiazine,5-oxide