2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
Formula:C26H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is not a drug-like molecule.
| MolName | 2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]-5-phenyl-1,3,4-oxadiazole |
| MolecularFormula | C26H18N2O |
| Smiles | C(c(cc1)ccc1-c1nnc(-c2ccccc2)o1)=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C26H18N2O/c1-2-8-22(9-3-1)25-27-28-26(29-25)23-17-14-19(15-18-23)13-16-21-11-6-10-20-7-4-5-12-24(20)21/h1-18H |
| InChIK | YLOZQQOTKHDRAE-UHFFFAOYSA-N |
| TotalMolweight | 374.442 |
| Molweight | 374.442 |
| MonoisotopicMass | 374.141913 |
| CLogP | 6.5291 |
| CLogS | -9.232 |
| H Acceptors | 3 |
| TotalSurfaceArea | 300.85 |
| Relative PSA | 0.11983 |
| PolarSurfaceArea | 38.92 |
| Druglikeness | 0.30428 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]-5-phenyl-1,3,4-oxadiazole | 2 - 2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
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