N-[(Z)-(4-chlorophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C14H19N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C14H19N3OCl |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H18ClN3O/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2,(H,17,19)/p+1 |
| InChIK | JVNQFFVDJKGMRY-UHFFFAOYSA-O |
| TotalMolweight | 280.778 |
| Molweight | 280.778 |
| MonoisotopicMass | 280.121664 |
| CLogP | 0.6806 |
| CLogS | -3.366 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 236.05 |
| Relative PSA | 0.22707 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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