(E)-2-(1,3-dichloropropan-2-yloxy)-2-hydroxyethenediazonium
Formula:C5H7N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-2-(1,3-dichloropropan-2-yloxy)-2-hydroxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-(1,3-dichloropropan-2-yloxy)-2-hydroxyethenediazonium |
| MolecularFormula | C5H7N2O2Cl2 |
| Smiles | N#[N+]/C=C(\O)/OC(CCl)CCl |
| InChI | InChI=1S/C5H6Cl2N2O2/c6-1-4(2-7)11-5(10)3-9-8/h3-4H,1-2H2/p+1 |
| InChIK | QXERJPBSSOYPHQ-UHFFFAOYSA-O |
| TotalMolweight | 198.029 |
| Molweight | 198.029 |
| MonoisotopicMass | 196.988457 |
| CLogP | 0.6135 |
| CLogS | -3.351 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 149.99 |
| Relative PSA | 0.36282 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -4.3053 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-2-(1,3-dichloropropan-2-yloxy)-2-hydroxyethenediazonium | 2 - (E)-2-(1,3-dichloropropan-2-yloxy)-2-hydroxyethenediazonium
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