(NZ)-N-[[5-[(Z)-hydroxyiminomethyl]-2,4-dinitrophenyl]methylidene]hydroxylamine
Formula:C8H6N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[5-[(Z)-hydroxyiminomethyl]-2,4-dinitrophenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[5-[(Z)-hydroxyiminomethyl]-2,4-dinitrophenyl]methylidene]hydroxylamine |
| MolecularFormula | C8H6N4O6 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(/C=N\O)cc1/C=N\O)=O |
| InChI | InChI=1S/C8H6N4O6/c13-9-3-5-1-6(4-10-14)8(12(17)18)2-7(5)11(15)16/h1-4,13-14H |
| InChIK | MIVQDXLJUZCALX-UHFFFAOYSA-N |
| TotalMolweight | 254.158 |
| Molweight | 254.158 |
| MonoisotopicMass | 254.028736 |
| CLogP | 0.9258 |
| CLogS | -3.934 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 182.82 |
| Relative PSA | 0.60201 |
| PolarSurfaceArea | 156.82 |
| Druglikeness | -6.2175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (NZ)-N-[[5-[(Z)-hydroxyiminomethyl]-2,4-dinitrophenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[5-[(Z)-hydroxyiminomethyl]-2,4-dinitrophenyl]methylidene]hydroxylamine
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