N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide
Formula:C15H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C15H11N3O3S |
| Smiles | N/C(/C1=Cc(cccc2)c2OC1=O)=N/NC(c1cccs1)=O |
| InChI | InChI=1S/C15H11N3O3S/c16-13(17-18-14(19)12-6-3-7-22-12)10-8-9-4-1-2-5-11(9)21-15(10)20/h1-8H,(H2,16,17)(H,18,19) |
| InChIK | QADIERDCAUHVTL-UHFFFAOYSA-N |
| TotalMolweight | 313.336 |
| Molweight | 313.336 |
| MonoisotopicMass | 313.052112 |
| CLogP | 1.7388 |
| CLogS | -3.836 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 228.62 |
| Relative PSA | 0.41414 |
| PolarSurfaceArea | 122.02 |
| Druglikeness | 5.3925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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