N-[(Z)-furan-2-ylmethylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide
Formula:C14H11N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide |
| MolecularFormula | C14H11N3O2S |
| Smiles | O=C(c(scc1)c1-n1cccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H11N3O2S/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 | BJIHLEGPUOFDIY-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 2.4418 |
| CLogS | -5.726 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.58 |
| Relative PSA | 0.34908 |
| PolarSurfaceArea | 87.77 |
| Druglikeness | 6.0134 |
| Mutagenic | high |
| 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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