N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C12H17N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C12H17N4OS |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C12H16N4OS/c17-12(10-16-4-6-18-7-5-16)15-14-9-11-2-1-3-13-8-11/h1-3,8-9H,4-7,10H2,(H,15,17)/p+1 |
| InChIK | QJNGPVWHEJQHRB-UHFFFAOYSA-O |
| TotalMolweight | 265.36 |
| Molweight | 265.36 |
| MonoisotopicMass | 265.112306 |
| CLogP | -1.6834 |
| CLogS | -1.632 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 223.12 |
| Relative PSA | 0.36778 |
| PolarSurfaceArea | 84.09 |
| Druglikeness | 4.2599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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