N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide
Formula:C17H13N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C17H13N2O2ClS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C17H13ClN2O2S/c18-15-6-2-1-5-14(15)16-8-7-12(22-16)11-19-20-17(21)10-13-4-3-9-23-13/h1-9,11H,10H2,(H,20,21) |
| InChIK | TUOHFZDZADNYPL-UHFFFAOYSA-N |
| TotalMolweight | 344.821 |
| Molweight | 344.821 |
| MonoisotopicMass | 344.038625 |
| CLogP | 4.6112 |
| CLogS | -5.892 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.56 |
| Relative PSA | 0.26946 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 7.8237 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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