(E)-1-(4-chlorophenyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-en-1-one
Formula:C19H12NOCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-en-1-one |
| MolecularFormula | C19H12NOCl3 |
| Smiles | O=C(/C=C/c1cccn1-c1cc(Cl)cc(Cl)c1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H12Cl3NO/c20-14-5-3-13(4-6-14)19(24)8-7-17-2-1-9-23(17)18-11-15(21)10-16(22)12-18/h1-12H |
| InChIK | KRIONOPZNHZZFC-UHFFFAOYSA-N |
| TotalMolweight | 376.669 |
| Molweight | 376.669 |
| MonoisotopicMass | 374.998445 |
| CLogP | 5.3607 |
| CLogS | -8.385 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.49 |
| Relative PSA | 0.073067 |
| PolarSurfaceArea | 22 |
| Druglikeness | 2.3884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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