N-[(Z)-naphthalen-1-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide
Formula:C17H20N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide |
| MolecularFormula | C17H20N3OS |
| Smiles | O=C(C[NH+]1CCSCC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H19N3OS/c21-17(13-20-8-10-22-11-9-20)19-18-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H,19,21)/p+1 |
| InChIK | MFCJGUDILDJNSY-UHFFFAOYSA-O |
| TotalMolweight | 314.432 |
| Molweight | 314.432 |
| MonoisotopicMass | 314.132707 |
| CLogP | 0.5119 |
| CLogS | -4.033 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 258.96 |
| Relative PSA | 0.27452 |
| PolarSurfaceArea | 71.2 |
| Druglikeness | 4.2599 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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