(2Z)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C16H9N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C16H9N3O4S |
| Smiles | [O-][N+](c1cccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1O)=O |
| InChI | InChI=1S/C16H9N3O4S/c20-14-9(4-3-7-12(14)19(22)23)8-13-15(21)18-11-6-2-1-5-10(11)17-16(18)24-13/h1-8,20H |
| InChIK | TYRXPSWONSTTHM-UHFFFAOYSA-N |
| TotalMolweight | 339.33 |
| Molweight | 339.33 |
| MonoisotopicMass | 339.031377 |
| CLogP | 2.2389 |
| CLogS | -4.299 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 232.05 |
| Relative PSA | 0.39599 |
| PolarSurfaceArea | 126.24 |
| Druglikeness | -1.7077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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