N-[(Z)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C14H19N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C14H19N3OBr |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C14H18BrN3O/c15-13-7-3-2-6-12(13)10-16-17-14(19)11-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)/p+1 |
| InChIK | GTZCGDVJMOPCIN-UHFFFAOYSA-O |
| TotalMolweight | 325.229 |
| Molweight | 325.229 |
| MonoisotopicMass | 324.071148 |
| CLogP | 0.7998 |
| CLogS | -3.464 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 239.26 |
| Relative PSA | 0.22402 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -0.77407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| 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 | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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