1-(4-chlorophenyl)-5-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
Formula:C16H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)-5-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-5-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide |
| MolecularFormula | C16H14N3O2ClS |
| Smiles | O=C(C(CC1=O)CN1c(cc1)ccc1Cl)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H14ClN3O2S/c17-12-3-5-13(6-4-12)20-10-11(8-15(20)21)16(22)19-18-9-14-2-1-7-23-14/h1-7,9,11H,8,10H2,(H,19,22)/t11-/m1/s1 |
| InChIK | DPHRWPSMQBGDJW-LLVKDONJSA-N |
| TotalMolweight | 347.825 |
| Molweight | 347.825 |
| MonoisotopicMass | 347.049524 |
| CLogP | 3.1069 |
| CLogS | -4.793 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.92 |
| Relative PSA | 0.28847 |
| PolarSurfaceArea | 90.01 |
| Druglikeness | 8.8875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 1-(4-chlorophenyl)-5-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide | 2 - 1-(4-chlorophenyl)-5-oxo-N-[(Z)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
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