N-[(Z)-(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
Formula:C14H10N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide |
| MolecularFormula | C14H10N3OFS |
| Smiles | O=C(c1cc(scc2)c2[nH]1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C14H10FN3OS/c15-10-3-1-9(2-4-10)8-16-18-14(19)12-7-13-11(17-12)5-6-20-13/h1-8,17H,(H,18,19) |
| InChIK | LIGWKZGLBVXNAY-UHFFFAOYSA-N |
| TotalMolweight | 287.317 |
| Molweight | 287.317 |
| MonoisotopicMass | 287.05286 |
| CLogP | 3.0404 |
| CLogS | -4.217 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 213.45 |
| Relative PSA | 0.32963 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | 5.0665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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