N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C13H18N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C13H18N3O2S |
| Smiles | Oc1cccc(/C=N\NC(C[NH+]2CCSCC2)=O)c1 |
| InChI | InChI=1S/C13H17N3O2S/c17-12-3-1-2-11(8-12)9-14-15-13(18)10-16-4-6-19-7-5-16/h1-3,8-9,17H,4-7,10H2,(H,15,18)/p+1 |
| InChIK | UGDNQCLPGSLARM-UHFFFAOYSA-O |
| TotalMolweight | 280.371 |
| Molweight | 280.371 |
| MonoisotopicMass | 280.111972 |
| CLogP | -1.0282 |
| CLogS | -2.131 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 230.71 |
| Relative PSA | 0.36492 |
| PolarSurfaceArea | 91.43 |
| Druglikeness | 4.252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off