(2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C16H8N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C16H8N3O4BrS |
| Smiles | [O-][N+](c(cc(cc1/C=C2\Sc3nc(cccc4)c4n3C2=O)Br)c1O)=O |
| InChI | InChI=1S/C16H8BrN3O4S/c17-9-5-8(14(21)12(7-9)20(23)24)6-13-15(22)19-11-4-2-1-3-10(11)18-16(19)25-13/h1-7,21H |
| InChIK | LNEBNJGHWFVDHH-UHFFFAOYSA-N |
| TotalMolweight | 418.227 |
| Molweight | 418.227 |
| MonoisotopicMass | 416.941888 |
| CLogP | 2.9641 |
| CLogS | -5.133 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 250.68 |
| Relative PSA | 0.36656 |
| PolarSurfaceArea | 126.24 |
| Druglikeness | -3.4977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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