2-(azocan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C16H22N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(azocan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H22N3OBr |
| Smiles | O=C(CN1CCCCCCC1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H22BrN3O/c17-15-8-6-14(7-9-15)12-18-19-16(21)13-20-10-4-2-1-3-5-11-20/h6-9,12H,1-5,10-11,13H2,(H,19,21) |
| InChIK | NYYBOQMONWDXTJ-UHFFFAOYSA-N |
| TotalMolweight | 352.275 |
| Molweight | 352.275 |
| MonoisotopicMass | 351.094623 |
| CLogP | 3.8839 |
| CLogS | -4.004 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.74 |
| Relative PSA | 0.15652 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -0.069426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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 | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(azocan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide | 2 - 2-(azocan-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off