2,6-bis[(E)-2-naphthalen-1-ylethenyl]-1-oxidopyridin-1-ium
Formula:C29H21NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2,6-bis[(E)-2-naphthalen-1-ylethenyl]-1-oxidopyridin-1-ium is not a drug-like molecule.
| MolName | 2,6-bis[(E)-2-naphthalen-1-ylethenyl]-1-oxidopyridin-1-ium |
| MolecularFormula | C29H21NO |
| Smiles | [O-][n+]1c(/C=C/c2cccc3ccccc23)cccc1/C=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C29H21NO/c31-30-26(20-18-24-12-5-10-22-8-1-3-16-28(22)24)14-7-15-27(30)21-19-25-13-6-11-23-9-2-4-17-29(23)25/h1-21H |
| InChIK | KOAZRNDKPLMCFV-UHFFFAOYSA-N |
| TotalMolweight | 399.492 |
| Molweight | 399.492 |
| MonoisotopicMass | 399.162314 |
| CLogP | 7.094 |
| CLogS | -10.737 |
| H Acceptors | 2 |
| TotalSurfaceArea | 317.03 |
| Relative PSA | 0.04498 |
| PolarSurfaceArea | 25.46 |
| Druglikeness | -3.2025 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,6-bis[(E)-2-naphthalen-1-ylethenyl]-1-oxidopyridin-1-ium | 2 - 2,6-bis[(E)-2-naphthalen-1-ylethenyl]-1-oxidopyridin-1-ium
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