N-[(4-chlorophenyl)methyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
Formula:C14H12N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide |
| MolecularFormula | C14H12N3O2ClS |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C14H12ClN3O2S/c15-11-5-3-10(4-6-11)8-16-13(19)14(20)18-17-9-12-2-1-7-21-12/h1-7,9H,8H2,(H,16,19)(H,18,20) |
| InChIK | ORDLWONOVUGCMI-UHFFFAOYSA-N |
| TotalMolweight | 321.787 |
| Molweight | 321.787 |
| MonoisotopicMass | 321.033874 |
| CLogP | 2.3259 |
| CLogS | -4.087 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.32 |
| Relative PSA | 0.33512 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.5105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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