(E)-oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene
Formula:C21H20N8O4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene is not a drug-like molecule.
| MolName | (E)-oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene |
| MolecularFormula | C21H20N8O4 |
| Smiles | [O-]/N=N/c1c(Cc2c(/N=N/[O-])on[n+]2CCc2ccccc2)[n+](CCc2ccccc2)no1 |
| InChI | InChI=1S/C21H20N8O4/c30-24-22-20-18(28(26-32-20)13-11-16-7-3-1-4-8-16)15-19-21(23-25-31)33-27-29(19)14-12-17-9-5-2-6-10-17/h1-10H,11-15H2 |
| InChIK | MFUZAVARFCWAHT-UHFFFAOYSA-N |
| TotalMolweight | 448.442 |
| Molweight | 448.442 |
| MonoisotopicMass | 448.160752 |
| CLogP | 1.5911 |
| CLogS | -6.701 |
| H Acceptors | 12 |
| TotalSurfaceArea | 353.94 |
| Relative PSA | 0.36808 |
| PolarSurfaceArea | 155.38 |
| Druglikeness | -5.9318 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 18 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene | 2 - (E)-oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene
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