2-(azocan-1-ium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
Formula:C16H23N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azocan-1-ium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-ium-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H23N3OBr |
| Smiles | O=C(C[NH+]1CCCCCCC1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C16H22BrN3O/c17-15-9-5-4-8-14(15)12-18-19-16(21)13-20-10-6-2-1-3-7-11-20/h4-5,8-9,12H,1-3,6-7,10-11,13H2,(H,19,21)/p+1 |
| InChIK | LSDJRDJGYNBBMP-UHFFFAOYSA-O |
| TotalMolweight | 353.283 |
| Molweight | 353.283 |
| MonoisotopicMass | 352.102448 |
| CLogP | 2.5176 |
| CLogS | -4.004 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 266.78 |
| Relative PSA | 0.20091 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -3.1041 |
| 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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