1-(2,4-difluorophenyl)-3-[(Z)-(3,4-difluorophenyl)methylideneamino]thiourea
Formula:C14H9N3F4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2,4-difluorophenyl)-3-[(Z)-(3,4-difluorophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(2,4-difluorophenyl)-3-[(Z)-(3,4-difluorophenyl)methylideneamino]thiourea |
| MolecularFormula | C14H9N3F4S |
| Smiles | Fc(cc1)cc(F)c1NC(N/N=C\c(cc1)cc(F)c1F)=S |
| InChI | InChI=1S/C14H9F4N3S/c15-9-2-4-13(12(18)6-9)20-14(22)21-19-7-8-1-3-10(16)11(17)5-8/h1-7H,(H2,20,21,22) |
| InChIK | RMFSQOLVBVQBGA-UHFFFAOYSA-N |
| TotalMolweight | 327.304 |
| Molweight | 327.304 |
| MonoisotopicMass | 327.045329 |
| CLogP | 3.9954 |
| CLogS | -5.577 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 238.81 |
| Relative PSA | 0.26142 |
| 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 | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(2,4-difluorophenyl)-3-[(Z)-(3,4-difluorophenyl)methylideneamino]thiourea | 2 - 1-(2,4-difluorophenyl)-3-[(Z)-(3,4-difluorophenyl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off