(2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C16H9N2OIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C16H9N2OIS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2I)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C16H9IN2OS/c17-11-7-5-10(6-8-11)9-14-15(20)19-13-4-2-1-3-12(13)18-16(19)21-14/h1-9H |
| InChIK | GCRWREZLFYPVDM-UHFFFAOYSA-N |
| TotalMolweight | 404.226 |
| Molweight | 404.226 |
| MonoisotopicMass | 403.948031 |
| CLogP | 3.9433 |
| CLogS | -5.151 |
| H Acceptors | 3 |
| TotalSurfaceArea | 228.31 |
| Relative PSA | 0.21186 |
| PolarSurfaceArea | 60.19 |
| Druglikeness | 3.8416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[(4-iodophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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