(NZ)-N-[(1-hydroxy-3-oxidoimidazol-3-ium-4-yl)methylidene]hydroxylamine
Formula:C4H5N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(1-hydroxy-3-oxidoimidazol-3-ium-4-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(1-hydroxy-3-oxidoimidazol-3-ium-4-yl)methylidene]hydroxylamine |
| MolecularFormula | C4H5N3O3 |
| Smiles | [O-][n+](c(/C=N\O)c1)cn1O |
| InChI | InChI=1S/C4H5N3O3/c8-5-1-4-2-6(9)3-7(4)10/h1-3,8-9H |
| InChIK | DOQOUJHVJXCOOT-UHFFFAOYSA-N |
| TotalMolweight | 143.102 |
| Molweight | 143.102 |
| MonoisotopicMass | 143.033092 |
| CLogP | -0.5225 |
| CLogS | -5.922 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 101.97 |
| Relative PSA | 0.57703 |
| PolarSurfaceArea | 83.21 |
| Druglikeness | -2.6528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-[(1-hydroxy-3-oxidoimidazol-3-ium-4-yl)methylidene]hydroxylamine | 2 - (NZ)-N-[(1-hydroxy-3-oxidoimidazol-3-ium-4-yl)methylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off