N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C19H22N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C19H22N3OS |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C19H21N3OS/c23-19(15-22-10-12-24-13-11-22)21-20-14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,21,23)/p+1 |
| InChIK | VUZPADGKGAWIGT-UHFFFAOYSA-O |
| TotalMolweight | 340.47 |
| Molweight | 340.47 |
| MonoisotopicMass | 340.148357 |
| CLogP | 0.9767 |
| CLogS | -4.513 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 284.12 |
| Relative PSA | 0.25021 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | 4.2599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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