N-[(Z)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide
Formula:C15H21N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ium-1-ylpropanamide |
| MolecularFormula | C15H21N3OBr |
| Smiles | O=C(CC[NH+]1CCCCC1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H20BrN3O/c16-14-6-4-13(5-7-14)12-17-18-15(20)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2,(H,18,20)/p+1 |
| InChIK | GQUOJRXBJJSJJI-UHFFFAOYSA-O |
| TotalMolweight | 339.256 |
| Molweight | 339.256 |
| MonoisotopicMass | 338.086798 |
| CLogP | 1.2542 |
| CLogS | -3.734 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 253.02 |
| Relative PSA | 0.21184 |
| PolarSurfaceArea | 45.9 |
| Druglikeness | -0.69406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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