2-(azocan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C20H26N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(azocan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C20H26N3O |
| Smiles | O=C(C[NH+]1CCCCCCC1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H25N3O/c24-20(16-23-13-6-2-1-3-7-14-23)22-21-15-18-11-8-10-17-9-4-5-12-19(17)18/h4-5,8-12,15H,1-3,6-7,13-14,16H2,(H,22,24)/p+1 |
| InChIK | DUQFMVRSMVAZOQ-UHFFFAOYSA-O |
| TotalMolweight | 324.446 |
| Molweight | 324.446 |
| MonoisotopicMass | 324.207587 |
| CLogP | 2.9868 |
| CLogS | -4.776 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 282.75 |
| Relative PSA | 0.18957 |
| 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 | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(azocan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-(azocan-1-ium-1-yl)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off