(E)-2-[1-[(E)-2-diazonio-1-hydroxyethenyl]cyclopropyl]-2-hydroxyethenediazonium
Formula:C7H8N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[1-[(E)-2-diazonio-1-hydroxyethenyl]cyclopropyl]-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-[1-[(E)-2-diazonio-1-hydroxyethenyl]cyclopropyl]-2-hydroxyethenediazonium |
| MolecularFormula | C7H8N4O2 |
| Smiles | N#[N+]/C=C(\C1(CC1)/C(/O)=C\[N+]#N)/O |
| InChI | InChI=1S/C7H6N4O2/c8-10-3-5(12)7(1-2-7)6(13)4-11-9/h3-4H,1-2H2/p+2 |
| InChIK | XEFLXSCUSQPHGX-UHFFFAOYSA-P |
| TotalMolweight | 180.167 |
| Molweight | 180.167 |
| MonoisotopicMass | 180.064726 |
| CLogP | 0.0058 |
| CLogS | -1.725 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 149.19 |
| Relative PSA | 0.59548 |
| PolarSurfaceArea | 96.76 |
| Druglikeness | -2.259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-2-[1-[(E)-2-diazonio-1-hydroxyethenyl]cyclopropyl]-2-hydroxyethenediazonium | 2 - (E)-2-[1-[(E)-2-diazonio-1-hydroxyethenyl]cyclopropyl]-2-hydroxyethenediazonium
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