1-[(Z)-benzylideneamino]-3-(2-fluorophenyl)thiourea
Formula:C14H12N3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-benzylideneamino]-3-(2-fluorophenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-3-(2-fluorophenyl)thiourea |
| MolecularFormula | C14H12N3FS |
| Smiles | Fc(cccc1)c1NC(N/N=C\c1ccccc1)=S |
| InChI | InChI=1S/C14H12FN3S/c15-12-8-4-5-9-13(12)17-14(19)18-16-10-11-6-2-1-3-7-11/h1-10H,(H2,17,18,19) |
| InChIK | STMPJSHTHJLZSC-UHFFFAOYSA-N |
| TotalMolweight | 273.334 |
| Molweight | 273.334 |
| MonoisotopicMass | 273.073595 |
| CLogP | 3.693 |
| CLogS | -4.635 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 219.76 |
| Relative PSA | 0.28408 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.8925 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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