2-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthiophene-3-carboxamide
Formula:C18H14N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthiophene-3-carboxamide is not a drug-like molecule.
| MolName | 2-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthiophene-3-carboxamide |
| MolecularFormula | C18H14N3OClS |
| Smiles | Nc(sc(-c1ccccc1)c1)c1C(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)11-21-22-18(23)15-10-16(24-17(15)20)13-4-2-1-3-5-13/h1-11H,20H2,(H,22,23) |
| InChIK | AGFXBPPYCNVSER-UHFFFAOYSA-N |
| TotalMolweight | 355.848 |
| Molweight | 355.848 |
| MonoisotopicMass | 355.054609 |
| CLogP | 5.0026 |
| CLogS | -6.69 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 266.63 |
| Relative PSA | 0.26869 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 6.2567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthiophene-3-carboxamide | 2 - 2-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthiophene-3-carboxamide
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