(E)-3-(3-chlorophenyl)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]prop-2-en-1-one
Formula:C22H25N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C22H25N2O3Cl |
| Smiles | OC(CN(CC1)CCN1C(/C=C/c1cccc(Cl)c1)=O)COc1ccccc1 |
| InChI | InChI=1S/C22H25ClN2O3/c23-19-6-4-5-18(15-19)9-10-22(27)25-13-11-24(12-14-25)16-20(26)17-28-21-7-2-1-3-8-21/h1-10,15,20,26H,11-14,16-17H2/t20-/m0/s1 |
| InChIK | KBESDBIDKNXNTM-FQEVSTJZSA-N |
| TotalMolweight | 400.905 |
| Molweight | 400.905 |
| MonoisotopicMass | 400.15537 |
| CLogP | 3.2361 |
| CLogS | -3.055 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.2 |
| Relative PSA | 0.13895 |
| PolarSurfaceArea | 53.01 |
| Druglikeness | 7.514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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