1-benzyl-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea
Formula:C16H16N3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea |
| MolecularFormula | C16H16N3FS |
| Smiles | C/C(/c(cccc1)c1F)=N/NC(NCc1ccccc1)=S |
| InChI | InChI=1S/C16H16FN3S/c1-12(14-9-5-6-10-15(14)17)19-20-16(21)18-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20,21) |
| InChIK | DTUBICZHNSQFLG-UHFFFAOYSA-N |
| TotalMolweight | 301.388 |
| Molweight | 301.388 |
| MonoisotopicMass | 301.104895 |
| CLogP | 3.3403 |
| CLogS | -4.811 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 243.99 |
| Relative PSA | 0.25587 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.43764 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-benzyl-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea | 2 - 1-benzyl-3-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off