N-[(Z)-furan-2-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C11H16N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C11H16N3O2S |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C11H15N3O2S/c15-11(9-14-3-6-17-7-4-14)13-12-8-10-2-1-5-16-10/h1-2,5,8H,3-4,6-7,9H2,(H,13,15)/p+1 |
| InChIK | OKMQFNZMAQZQLZ-UHFFFAOYSA-O |
| TotalMolweight | 254.333 |
| Molweight | 254.333 |
| MonoisotopicMass | 254.096322 |
| CLogP | -1.4938 |
| CLogS | -2.109 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 214.05 |
| Relative PSA | 0.39804 |
| PolarSurfaceArea | 84.34 |
| Druglikeness | 4.262 |
| Mutagenic | high |
| 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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