2-thiomorpholin-4-ium-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C14H17N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-thiomorpholin-4-ium-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-thiomorpholin-4-ium-4-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C14H17N3OF3S |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C14H16F3N3OS/c15-14(16,17)12-3-1-2-11(8-12)9-18-19-13(21)10-20-4-6-22-7-5-20/h1-3,8-9H,4-7,10H2,(H,19,21)/p+1 |
| InChIK | LUXSKMIQMARLSS-UHFFFAOYSA-O |
| TotalMolweight | 332.369 |
| Molweight | 332.369 |
| MonoisotopicMass | 332.104441 |
| CLogP | 0.1658 |
| CLogS | -3.205 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 253.82 |
| Relative PSA | 0.28008 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | -2.9301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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