(NE)-N-(1-hydroxypyridin-2-ylidene)nitramide
Formula:C5H5N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1-hydroxypyridin-2-ylidene)nitramide is a drug-like molecule.
| MolName | (NE)-N-(1-hydroxypyridin-2-ylidene)nitramide |
| MolecularFormula | C5H5N3O3 |
| Smiles | [O-][N+](/N=C(\C=CC=C1)/N1O)=O |
| InChI | InChI=1S/C5H5N3O3/c9-7-4-2-1-3-5(7)6-8(10)11/h1-4,9H |
| InChIK | ZOPWVISJOJKXGH-UHFFFAOYSA-N |
| TotalMolweight | 155.113 |
| Molweight | 155.113 |
| MonoisotopicMass | 155.033092 |
| CLogP | -1.5215 |
| CLogS | -1.866 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 116.29 |
| Relative PSA | 0.50374 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -2.5267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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