3-(4-phenylpiperazin-1-ium-1-yl)propylazanium
Formula:C13H23N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-phenylpiperazin-1-ium-1-yl)propylazanium is a drug-like molecule.
| MolName | 3-(4-phenylpiperazin-1-ium-1-yl)propylazanium |
| MolecularFormula | C13H23N3 |
| Smiles | [NH3+]CCC[NH+](CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C13H21N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,14H2/p+2 |
| InChIK | KNLCRNWJXCLJHQ-UHFFFAOYSA-P |
| TotalMolweight | 221.347 |
| Molweight | 221.347 |
| MonoisotopicMass | 221.189197 |
| CLogP | -4.3063 |
| CLogS | -1.36 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 198.45 |
| Relative PSA | 0.17949 |
| PolarSurfaceArea | 35.32 |
| Druglikeness | 0.09386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 3 |
| AlkylAmines | 2 |
| Aromatic Amines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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