(2,5-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C20H20N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2,5-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (2,5-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C20H20N2OCl2 |
| Smiles | O=C(c(cc(cc1)Cl)c1Cl)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C20H20Cl2N2O/c21-17-8-9-19(22)18(15-17)20(25)24-13-11-23(12-14-24)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2 |
| InChIK | NLLUJIKPRUAFNT-UHFFFAOYSA-N |
| TotalMolweight | 375.298 |
| Molweight | 375.298 |
| MonoisotopicMass | 374.095267 |
| CLogP | 4.8346 |
| CLogS | -4.14 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.01 |
| Relative PSA | 0.070913 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 8.0951 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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