4,5-diphenyl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]pyridine
Formula:C25H24N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,5-diphenyl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]pyridine is not a drug-like molecule.
| MolName | 4,5-diphenyl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]pyridine |
| MolecularFormula | C25H24N2 |
| Smiles | C(CC1)CN1/C=C/C=C/c1ncc(-c2ccccc2)c(-c2ccccc2)c1 |
| InChI | InChI=1S/C25H24N2/c1-3-11-21(12-4-1)24-19-23(15-7-8-16-27-17-9-10-18-27)26-20-25(24)22-13-5-2-6-14-22/h1-8,11-16,19-20H,9-10,17-18H2 |
| InChIK | VTWMOWFPHCWJLH-UHFFFAOYSA-N |
| TotalMolweight | 352.48 |
| Molweight | 352.48 |
| MonoisotopicMass | 352.193948 |
| CLogP | 5.4142 |
| CLogS | -6.228 |
| H Acceptors | 2 |
| TotalSurfaceArea | 296.38 |
| Relative PSA | 0.048991 |
| PolarSurfaceArea | 16.13 |
| Druglikeness | 2.1587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4,5-diphenyl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]pyridine | 2 - 4,5-diphenyl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]pyridine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off