benzyl N-[(Z)-(2-fluorophenyl)methylideneamino]carbamodithioate
Formula:C15H13N2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-[(Z)-(2-fluorophenyl)methylideneamino]carbamodithioate is a drug-like molecule.
| MolName | benzyl N-[(Z)-(2-fluorophenyl)methylideneamino]carbamodithioate |
| MolecularFormula | C15H13N2FS2 |
| Smiles | Fc1c(/C=N\NC(SCc2ccccc2)=S)cccc1 |
| InChI | InChI=1S/C15H13FN2S2/c16-14-9-5-4-8-13(14)10-17-18-15(19)20-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19) |
| InChIK | YBJQNMZIYRKIGO-UHFFFAOYSA-N |
| TotalMolweight | 304.412 |
| Molweight | 304.412 |
| MonoisotopicMass | 304.050416 |
| CLogP | 4.2126 |
| CLogS | -5.605 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 239.55 |
| Relative PSA | 0.28579 |
| PolarSurfaceArea | 81.78 |
| Druglikeness | 0.95512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - benzyl N-[(Z)-(2-fluorophenyl)methylideneamino]carbamodithioate | 2 - benzyl N-[(Z)-(2-fluorophenyl)methylideneamino]carbamodithioate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off