[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]urea
Formula:C12H10N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]urea |
| MolecularFormula | C12H10N3O2ClS |
| Smiles | NC(N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C12H10ClN3O2S/c13-8-1-4-10(5-2-8)19-11-6-3-9(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17) |
| InChIK | DMEXTAUJAUHCNO-UHFFFAOYSA-N |
| TotalMolweight | 295.749 |
| Molweight | 295.749 |
| MonoisotopicMass | 295.018224 |
| CLogP | 2.8485 |
| CLogS | -4.781 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 218.11 |
| Relative PSA | 0.37999 |
| PolarSurfaceArea | 105.92 |
| Druglikeness | 6.6187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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