N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C16H11N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H11N2O2ClS |
| Smiles | O=C(c1cccs1)N/N=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C16H11ClN2O2S/c17-13-5-2-1-4-12(13)14-8-7-11(21-14)10-18-19-16(20)15-6-3-9-22-15/h1-10H,(H,19,20) |
| InChIK | UCFIAHAALCGCCF-UHFFFAOYSA-N |
| TotalMolweight | 330.794 |
| Molweight | 330.794 |
| MonoisotopicMass | 330.022975 |
| CLogP | 4.6131 |
| CLogS | -5.927 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.8 |
| Relative PSA | 0.28442 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 7.837 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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