(E)-1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
Formula:C24H16N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one |
| MolecularFormula | C24H16N2OCl2 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H16Cl2N2O/c25-20-11-6-17(7-12-20)23(29)15-10-19-16-28(22-4-2-1-3-5-22)27-24(19)18-8-13-21(26)14-9-18/h1-16H |
| InChIK | OLXQVTRNKZHHOK-UHFFFAOYSA-N |
| TotalMolweight | 419.31 |
| Molweight | 419.31 |
| MonoisotopicMass | 418.063967 |
| CLogP | 5.4348 |
| CLogS | -6.825 |
| H Acceptors | 3 |
| TotalSurfaceArea | 315.59 |
| Relative PSA | 0.097848 |
| PolarSurfaceArea | 34.89 |
| Druglikeness | 3.4125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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