(2Z)-2-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C16H8N2O2BrIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C16H8N2O2BrIS |
| Smiles | Oc(c(/C=C1\Sc2nc(cccc3)c3n2C1=O)cc(I)c1)c1Br |
| InChI | InChI=1S/C16H8BrIN2O2S/c17-10-7-9(18)5-8(14(10)21)6-13-15(22)20-12-4-2-1-3-11(12)19-16(20)23-13/h1-7,21H |
| InChIK | SDGYYUUMVXTEJM-UHFFFAOYSA-N |
| TotalMolweight | 499.122 |
| Molweight | 499.122 |
| MonoisotopicMass | 497.853457 |
| CLogP | 4.3228 |
| CLogS | -5.689 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.29 |
| Relative PSA | 0.24269 |
| PolarSurfaceArea | 80.42 |
| Druglikeness | 2.0544 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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