(4E)-4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide
Formula:C11H9N5OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide is a drug-like molecule.
| MolName | (4E)-4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide |
| MolecularFormula | C11H9N5OCl2S |
| Smiles | C=C(/C1=N\Nc(ccc(Cl)c2)c2Cl)NN(C(N)=S)C1=O |
| InChI | InChI=1S/C11H9Cl2N5OS/c1-5-9(10(19)18(17-5)11(14)20)16-15-8-3-2-6(12)4-7(8)13/h2-4,15,17H,1H2,(H2,14,20) |
| InChIK | PESIOXKTJSQZEV-UHFFFAOYSA-N |
| TotalMolweight | 330.198 |
| Molweight | 330.198 |
| MonoisotopicMass | 328.990484 |
| CLogP | 2.2747 |
| CLogS | -3.908 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 228.52 |
| Relative PSA | 0.41261 |
| PolarSurfaceArea | 114.84 |
| Druglikeness | 1.5476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide | 2 - (4E)-4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methylidene-5-oxopyrazolidine-1-carbothioamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off