N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiophene-2-carboxamide
Formula:C17H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C17H13N3OS |
| Smiles | O=C(c1cccs1)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C17H13N3OS/c21-17(15-10-6-12-22-15)20-19-16(13-7-2-1-3-8-13)14-9-4-5-11-18-14/h1-12H,(H,20,21) |
| InChIK | AXWOWLGDWVYPEA-UHFFFAOYSA-N |
| TotalMolweight | 307.376 |
| Molweight | 307.376 |
| MonoisotopicMass | 307.077932 |
| CLogP | 3.318 |
| CLogS | -4.736 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.66 |
| Relative PSA | 0.28098 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 5.2879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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