[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]thiourea
Formula:C12H10N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]thiourea |
| MolecularFormula | C12H10N3OClS |
| Smiles | NC(N/N=C\c(cc(-c1ccccc1)o1)c1Cl)=S |
| InChI | InChI=1S/C12H10ClN3OS/c13-11-9(7-15-16-12(14)18)6-10(17-11)8-4-2-1-3-5-8/h1-7H,(H3,14,16,18) |
| InChIK | QPOXFZKMXOPGQU-UHFFFAOYSA-N |
| TotalMolweight | 279.75 |
| Molweight | 279.75 |
| MonoisotopicMass | 279.023309 |
| CLogP | 3.1203 |
| CLogS | -4.833 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.58 |
| Relative PSA | 0.37272 |
| PolarSurfaceArea | 95.64 |
| Druglikeness | 0.34184 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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