1-(4-fluorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea
Formula:C18H14N3FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(4-fluorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]thiourea |
| MolecularFormula | C18H14N3FS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c1cccc2ccccc12)=S |
| InChI | InChI=1S/C18H14FN3S/c19-15-8-10-16(11-9-15)21-18(23)22-20-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H2,21,22,23) |
| InChIK | LNGDVEDQEFNWGX-UHFFFAOYSA-N |
| TotalMolweight | 323.394 |
| Molweight | 323.394 |
| MonoisotopicMass | 323.089245 |
| CLogP | 4.8874 |
| CLogS | -6.241 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 254.36 |
| Relative PSA | 0.24544 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.8925 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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