N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide
Formula:C15H20N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide |
| MolecularFormula | C15H20N3OCl2 |
| Smiles | O=C(CC[NH+]1CCCCC1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H19Cl2N3O/c16-13-5-4-12(14(17)10-13)11-18-19-15(21)6-9-20-7-2-1-3-8-20/h4-5,10-11H,1-3,6-9H2,(H,19,21)/p+1 |
| InChIK | BEXCNOXVDRBKOY-UHFFFAOYSA-O |
| TotalMolweight | 329.25 |
| Molweight | 329.25 |
| MonoisotopicMass | 328.098341 |
| CLogP | 1.741 |
| CLogS | -4.372 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 265.23 |
| Relative PSA | 0.20209 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | 1.1303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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