1-benzyl-3-[(Z)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]thiourea
Formula:C19H15N3OClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-benzyl-3-[(Z)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]thiourea |
| MolecularFormula | C19H15N3OClFS |
| Smiles | Fc(ccc(-c1ccc(/C=N\NC(NCc2ccccc2)=S)o1)c1)c1Cl |
| InChI | InChI=1S/C19H15ClFN3OS/c20-16-10-14(6-8-17(16)21)18-9-7-15(25-18)12-23-24-19(26)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,22,24,26) |
| InChIK | OWMDJVVXCABKOB-UHFFFAOYSA-N |
| TotalMolweight | 387.865 |
| Molweight | 387.865 |
| MonoisotopicMass | 387.060837 |
| CLogP | 4.9473 |
| CLogS | -6.647 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 298.39 |
| Relative PSA | 0.25651 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 3.4986 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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