(2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
Formula:C13H14N4OCl2S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is a drug-like molecule.
| MolName | (2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide |
| MolecularFormula | C13H14N4OCl2S |
| Smiles | NC(/C(/C(N1CCCC1)=O)=N\Nc1cccc(Cl)c1Cl)=S |
| InChI | InChI=1S/C13H14Cl2N4OS/c14-8-4-3-5-9(10(8)15)17-18-11(12(16)21)13(20)19-6-1-2-7-19/h3-5,17H,1-2,6-7H2,(H2,16,21) |
| InChIK | MDFDHYBBVILBEC-UHFFFAOYSA-N |
| TotalMolweight | 345.253 |
| Molweight | 345.253 |
| MonoisotopicMass | 344.026535 |
| CLogP | 3.3724 |
| CLogS | -3.866 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.35 |
| Relative PSA | 0.33218 |
| PolarSurfaceArea | 102.81 |
| Druglikeness | 5.7109 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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