(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-chlorophenyl)prop-2-en-1-one
Formula:C26H25N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-chlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C26H25N2OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H25ClN2O/c27-24-14-8-7-9-21(24)15-16-25(30)28-17-19-29(20-18-28)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,26H,17-20H2 |
| InChIK | LVEKLFONNZHJRA-UHFFFAOYSA-N |
| TotalMolweight | 416.951 |
| Molweight | 416.951 |
| MonoisotopicMass | 416.16554 |
| CLogP | 5.5124 |
| CLogS | -4.517 |
| H Acceptors | 3 |
| TotalSurfaceArea | 327.09 |
| Relative PSA | 0.061573 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.6404 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-chlorophenyl)prop-2-en-1-one | 2 - (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-chlorophenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off