2-[4-(5,5-diphenylpent-2-ynyl)piperazin-1-yl]ethanol
Formula:C23H28N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(5,5-diphenylpent-2-ynyl)piperazin-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[4-(5,5-diphenylpent-2-ynyl)piperazin-1-yl]ethanol |
| MolecularFormula | C23H28N2O |
| Smiles | OCCN1CCN(CC#CCC(c2ccccc2)c2ccccc2)CC1 |
| InChI | InChI=1S/C23H28N2O/c26-20-19-25-17-15-24(16-18-25)14-8-7-13-23(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23,26H,13-20H2 |
| InChIK | APGRXFDDSFKVQF-UHFFFAOYSA-N |
| TotalMolweight | 348.488 |
| Molweight | 348.488 |
| MonoisotopicMass | 348.220163 |
| CLogP | 3.7936 |
| CLogS | -4.209 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 298.85 |
| Relative PSA | 0.067592 |
| PolarSurfaceArea | 26.71 |
| Druglikeness | 2.9869 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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