4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
Formula:C17H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile |
| MolecularFormula | C17H9N3OS |
| Smiles | N#Cc1ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)cc1 |
| InChI | InChI=1S/C17H9N3OS/c18-10-12-7-5-11(6-8-12)9-15-16(21)20-14-4-2-1-3-13(14)19-17(20)22-15/h1-9H |
| InChIK | YNWNVSIITORISP-UHFFFAOYSA-N |
| TotalMolweight | 303.344 |
| Molweight | 303.344 |
| MonoisotopicMass | 303.046632 |
| CLogP | 3.3418 |
| CLogS | -4.908 |
| H Acceptors | 4 |
| TotalSurfaceArea | 223.74 |
| Relative PSA | 0.27679 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -0.91633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| 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 - 4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile | 2 - 4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
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