(E)-2-hydroxy-2-prop-2-ynoxyethenediazonium
Formula:C5H5N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-hydroxy-2-prop-2-ynoxyethenediazonium is a drug-like molecule.
| MolName | (E)-2-hydroxy-2-prop-2-ynoxyethenediazonium |
| MolecularFormula | C5H5N2O2 |
| Smiles | C#CCO/C(/O)=C/[N+]#N |
| InChI | InChI=1S/C5H4N2O2/c1-2-3-9-5(8)4-7-6/h1,4H,3H2/p+1 |
| InChIK | ZCMNBAFKLFHXOE-UHFFFAOYSA-O |
| TotalMolweight | 125.107 |
| Molweight | 125.107 |
| MonoisotopicMass | 125.035103 |
| CLogP | -0.5835 |
| CLogS | -2.495 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 116.7 |
| Relative PSA | 0.46632 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.8612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-hydroxy-2-prop-2-ynoxyethenediazonium | 2 - (E)-2-hydroxy-2-prop-2-ynoxyethenediazonium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off