(2Z)-2-[(5-nitrofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C14H7N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-[(5-nitrofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(5-nitrofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C14H7N3O4S |
| Smiles | [O-][N+](c1ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)o1)=O |
| InChI | InChI=1S/C14H7N3O4S/c18-13-11(7-8-5-6-12(21-8)17(19)20)22-14-15-9-3-1-2-4-10(9)16(13)14/h1-7H |
| InChIK | KVEQRHSXUQHEEK-UHFFFAOYSA-N |
| TotalMolweight | 313.293 |
| Molweight | 313.293 |
| MonoisotopicMass | 313.015727 |
| CLogP | 2.1247 |
| CLogS | -4.802 |
| H Acceptors | 7 |
| TotalSurfaceArea | 215.39 |
| Relative PSA | 0.43131 |
| PolarSurfaceArea | 119.15 |
| Druglikeness | 0.055852 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(5-nitrofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(5-nitrofuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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