2-(azocan-1-ium-1-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
Formula:C16H22N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(azocan-1-ium-1-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(azocan-1-ium-1-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H22N3OCl2 |
| Smiles | O=C(C[NH+]1CCCCCCC1)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C16H21Cl2N3O/c17-14-8-6-7-13(16(14)18)11-19-20-15(22)12-21-9-4-2-1-3-5-10-21/h6-8,11H,1-5,9-10,12H2,(H,20,22)/p+1 |
| InChIK | UPQCQSAOLZJYCE-UHFFFAOYSA-O |
| TotalMolweight | 343.277 |
| Molweight | 343.277 |
| MonoisotopicMass | 342.113991 |
| CLogP | 3.0044 |
| CLogS | -4.642 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.99 |
| Relative PSA | 0.19212 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -1.2855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
Click to Load Molecule:
1 - 2-(azocan-1-ium-1-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(azocan-1-ium-1-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off