(E)-2-hydroxy-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]ethenediazonium
Formula:C6H11N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-hydroxy-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]ethenediazonium is a drug-like molecule.
| MolName | (E)-2-hydroxy-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]ethenediazonium |
| MolecularFormula | C6H11N4O3 |
| Smiles | N#[N+]/C=C(\NCC(NCCO)=O)/O |
| InChI | InChI=1S/C6H10N4O3/c7-10-4-6(13)9-3-5(12)8-1-2-11/h4,9,11H,1-3H2,(H-,8,12,13)/p+1 |
| InChIK | VYQXLUXCPSMWLM-UHFFFAOYSA-O |
| TotalMolweight | 187.178 |
| Molweight | 187.178 |
| MonoisotopicMass | 187.083116 |
| CLogP | -2.5216 |
| CLogS | -1.295 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 157.43 |
| Relative PSA | 0.59379 |
| PolarSurfaceArea | 109.74 |
| Druglikeness | 0.30776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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