N-[(Z)-furan-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C11H16N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-3-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C11H16N3O2S |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c1cocc1 |
| InChI | InChI=1S/C11H15N3O2S/c15-11(8-14-2-5-17-6-3-14)13-12-7-10-1-4-16-9-10/h1,4,7,9H,2-3,5-6,8H2,(H,13,15)/p+1 |
| InChIK | KVIILCDVJWQDHX-UHFFFAOYSA-O |
| TotalMolweight | 254.333 |
| Molweight | 254.333 |
| MonoisotopicMass | 254.096322 |
| CLogP | -1.5478 |
| CLogS | -2.085 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.05 |
| Relative PSA | 0.39804 |
| PolarSurfaceArea | 84.34 |
| Druglikeness | 4.1954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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