1-(4-fluorophenyl)-3-[(Z)-furan-2-ylmethylideneamino]thiourea
Formula:C12H10N3OFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(4-fluorophenyl)-3-[(Z)-furan-2-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-3-[(Z)-furan-2-ylmethylideneamino]thiourea |
| MolecularFormula | C12H10N3OFS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c1ccco1)=S |
| InChI | InChI=1S/C12H10FN3OS/c13-9-3-5-10(6-4-9)15-12(18)16-14-8-11-2-1-7-17-11/h1-8H,(H2,15,16,18) |
| InChIK | BOOHWVBAEHZGRR-UHFFFAOYSA-N |
| TotalMolweight | 263.295 |
| Molweight | 263.295 |
| MonoisotopicMass | 263.05286 |
| CLogP | 2.8817 |
| CLogS | -4.317 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 209.45 |
| Relative PSA | 0.36543 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 0.81195 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| 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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