2-(azepan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C19H24N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(azepan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azepan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C19H24N3O |
| Smiles | O=C(C[NH+]1CCCCCC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H23N3O/c23-19(15-22-12-5-1-2-6-13-22)21-20-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,21,23)/p+1 |
| InChIK | PTDSVGBMQNJNSW-UHFFFAOYSA-O |
| TotalMolweight | 310.42 |
| Molweight | 310.42 |
| MonoisotopicMass | 310.191937 |
| CLogP | 1.611 |
| CLogS | -4.506 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.99 |
| Relative PSA | 0.19926 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -1.3141 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(azepan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-(azepan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
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