2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetonitrile
Formula:C16H11N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetonitrile is a drug-like molecule.
| MolName | 2-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-phenylimidazol-2-yl]sulfanylacetonitrile |
| MolecularFormula | C16H11N3O2S |
| Smiles | N#CCSC(N(C1=O)c2ccccc2)=N/C1=C\c1ccco1 |
| InChI | InChI=1S/C16H11N3O2S/c17-8-10-22-16-18-14(11-13-7-4-9-21-13)15(20)19(16)12-5-2-1-3-6-12/h1-7,9,11H,10H2 |
| InChIK | TUXPSVNHXXRTCB-UHFFFAOYSA-N |
| TotalMolweight | 309.348 |
| Molweight | 309.348 |
| MonoisotopicMass | 309.057197 |
| CLogP | 2.105 |
| CLogS | -4.966 |
| H Acceptors | 5 |
| TotalSurfaceArea | 237.9 |
| Relative PSA | 0.30794 |
| PolarSurfaceArea | 94.9 |
| Druglikeness | -1.1516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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