N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C20H24N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C20H24N3O2 |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H23N3O2/c24-20(16-23-12-5-2-6-13-23)22-21-15-17-8-7-11-19(14-17)25-18-9-3-1-4-10-18/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,22,24)/p+1 |
| InChIK | GMHACZFKOHQMLB-UHFFFAOYSA-O |
| TotalMolweight | 338.43 |
| Molweight | 338.43 |
| MonoisotopicMass | 338.186852 |
| CLogP | 1.4702 |
| CLogS | -4.927 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.39 |
| Relative PSA | 0.21902 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 0.92532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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