1-(4-chlorophenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
Formula:C22H27N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-(4-chlorophenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is a drug-like molecule.
| MolName | 1-(4-chlorophenoxy)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol |
| MolecularFormula | C22H27N2O2Cl |
| Smiles | OC(CN1CCN(C/C=C/c2ccccc2)CC1)COc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H27ClN2O2/c23-20-8-10-22(11-9-20)27-18-21(26)17-25-15-13-24(14-16-25)12-4-7-19-5-2-1-3-6-19/h1-11,21,26H,12-18H2/t21-/m0/s1 |
| InChIK | OHVPQXJNFBNLPV-NRFANRHFSA-N |
| TotalMolweight | 386.921 |
| Molweight | 386.921 |
| MonoisotopicMass | 386.176105 |
| CLogP | 3.5857 |
| CLogS | -3.073 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.21 |
| Relative PSA | 0.098304 |
| PolarSurfaceArea | 35.94 |
| Druglikeness | 7.5116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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