3-pyrrol-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide
Formula:C14H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-pyrrol-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-pyrrol-1-yl-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C14H11N3OS2 |
| Smiles | O=C(c(scc1)c1-n1cccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H11N3OS2/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18) |
| InChIK | VLIXWSAXCYRWFX-UHFFFAOYSA-N |
| TotalMolweight | 301.393 |
| Molweight | 301.393 |
| MonoisotopicMass | 301.034352 |
| CLogP | 3.1197 |
| CLogS | -6.054 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.83 |
| Relative PSA | 0.36694 |
| PolarSurfaceArea | 102.87 |
| Druglikeness | 6.8684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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