(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C17H9N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C17H9N3O5S |
| Smiles | [O-][N+](c1c(/C=C2\Sc3nc(cccc4)c4n3C2=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C17H9N3O5S/c21-16-15(26-17-18-10-3-1-2-4-11(10)19(16)17)6-9-5-13-14(25-8-24-13)7-12(9)20(22)23/h1-7H,8H2 |
| InChIK | MPOJKKXRZOMYGV-UHFFFAOYSA-N |
| TotalMolweight | 367.34 |
| Molweight | 367.34 |
| MonoisotopicMass | 367.026292 |
| CLogP | 2.696 |
| CLogS | -5.306 |
| H Acceptors | 8 |
| TotalSurfaceArea | 245.96 |
| Relative PSA | 0.40165 |
| PolarSurfaceArea | 124.47 |
| Druglikeness | -1.7633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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