1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4,6-diphenyl-2H-pyridine
Formula:C31H24NCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4,6-diphenyl-2H-pyridine is not a drug-like molecule.
| MolName | 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4,6-diphenyl-2H-pyridine |
| MolecularFormula | C31H24NCl |
| Smiles | Clc1cc(/C=C(\c2ccccc2)/N2C(c3ccccc3)=CC(c3ccccc3)=CC2)ccc1 |
| InChI | InChI=1S/C31H24ClN/c32-29-18-10-11-24(21-29)22-30(26-14-6-2-7-15-26)33-20-19-28(25-12-4-1-5-13-25)23-31(33)27-16-8-3-9-17-27/h1-19,21-23H,20H2 |
| InChIK | VWGLVVGUFSOOHP-UHFFFAOYSA-N |
| TotalMolweight | 445.992 |
| Molweight | 445.992 |
| MonoisotopicMass | 445.159726 |
| CLogP | 7.7967 |
| CLogS | -6.646 |
| H Acceptors | 1 |
| TotalSurfaceArea | 352.65 |
| Relative PSA | 0.010067 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 2.6662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4,6-diphenyl-2H-pyridine | 2 - 1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4,6-diphenyl-2H-pyridine
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