N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C21H26N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C21H26N3O2 |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H25N3O2/c25-21(16-24-13-7-2-8-14-24)23-22-15-19-11-5-6-12-20(19)26-17-18-9-3-1-4-10-18/h1,3-6,9-12,15H,2,7-8,13-14,16-17H2,(H,23,25)/p+1 |
| InChIK | UVOICQXXTUDVTQ-UHFFFAOYSA-O |
| TotalMolweight | 352.456 |
| Molweight | 352.456 |
| MonoisotopicMass | 352.202502 |
| CLogP | 1.4227 |
| CLogS | -3.971 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 304.15 |
| Relative PSA | 0.20911 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 0.68549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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