2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
Formula:C20H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol is a drug-like molecule.
| MolName | 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol |
| MolecularFormula | C20H24N2O |
| Smiles | Oc1c(CN2CCN(C/C=C/c3ccccc3)CC2)cccc1 |
| InChI | InChI=1S/C20H24N2O/c23-20-11-5-4-10-19(20)17-22-15-13-21(14-16-22)12-6-9-18-7-2-1-3-8-18/h1-11,23H,12-17H2 |
| InChIK | LGVQHNODQDQPFX-UHFFFAOYSA-N |
| TotalMolweight | 308.424 |
| Molweight | 308.424 |
| MonoisotopicMass | 308.188863 |
| CLogP | 3.1945 |
| CLogS | -2.243 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 255.53 |
| Relative PSA | 0.079051 |
| PolarSurfaceArea | 26.71 |
| Druglikeness | 6.3668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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