(E)-1-(4-benzylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Formula:C23H27N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-benzylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-benzylpiperazin-1-yl)-3-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H27N2O2F |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)N1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C23H27FN2O2/c24-13-4-18-28-22-10-7-20(8-11-22)9-12-23(27)26-16-14-25(15-17-26)19-21-5-2-1-3-6-21/h1-3,5-12H,4,13-19H2 |
| InChIK | SWRJCXLJNMIGJO-UHFFFAOYSA-N |
| TotalMolweight | 382.477 |
| Molweight | 382.477 |
| MonoisotopicMass | 382.205656 |
| CLogP | 3.7557 |
| CLogS | -3.184 |
| H Acceptors | 4 |
| TotalSurfaceArea | 310.8 |
| Relative PSA | 0.096976 |
| PolarSurfaceArea | 32.78 |
| Druglikeness | 4.3075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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