N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
Formula:C12H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide |
| MolecularFormula | C12H11N3O2S |
| Smiles | N/C(/c(cc1)ccc1NC(c1cccs1)=O)=N/O |
| InChI | InChI=1S/C12H11N3O2S/c13-11(15-17)8-3-5-9(6-4-8)14-12(16)10-2-1-7-18-10/h1-7,17H,(H2,13,15)(H,14,16) |
| InChIK | SQQUHJREVOAAOE-UHFFFAOYSA-N |
| TotalMolweight | 261.304 |
| Molweight | 261.304 |
| MonoisotopicMass | 261.057197 |
| CLogP | 2.3824 |
| CLogS | -3.602 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 196.01 |
| Relative PSA | 0.43232 |
| PolarSurfaceArea | 115.95 |
| Druglikeness | 3.2145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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