2-(azocan-1-ium-1-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
Formula:C16H23N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azocan-1-ium-1-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-ium-1-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H23N3OCl |
| Smiles | O=C(C[NH+]1CCCCCCC1)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H22ClN3O/c17-15-8-6-7-14(11-15)12-18-19-16(21)13-20-9-4-2-1-3-5-10-20/h6-8,11-12H,1-5,9-10,13H2,(H,19,21)/p+1 |
| InChIK | PLHLDXQKKOXQSJ-UHFFFAOYSA-O |
| TotalMolweight | 308.832 |
| Molweight | 308.832 |
| MonoisotopicMass | 308.152964 |
| CLogP | 2.3984 |
| CLogS | -3.906 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.57 |
| Relative PSA | 0.20336 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -1.2855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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