N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide
Formula:C19H14N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide |
| MolecularFormula | C19H14N2O2ClFS |
| Smiles | O=C(c(scc1)c1OCc(cc1)ccc1F)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H14ClFN2O2S/c20-15-5-1-13(2-6-15)11-22-23-19(24)18-17(9-10-26-18)25-12-14-3-7-16(21)8-4-14/h1-11H,12H2,(H,23,24) |
| InChIK | YKOMFHRYONXKFN-UHFFFAOYSA-N |
| TotalMolweight | 388.849 |
| Molweight | 388.849 |
| MonoisotopicMass | 388.044853 |
| CLogP | 5.1231 |
| CLogS | -6.122 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.22 |
| Relative PSA | 0.23028 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 3.9618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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