(NE)-N-[(4-nitrophenyl)-(tetrazol-2-yl)methylidene]hydroxylamine
Formula:C8H6N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(4-nitrophenyl)-(tetrazol-2-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(4-nitrophenyl)-(tetrazol-2-yl)methylidene]hydroxylamine |
| MolecularFormula | C8H6N6O3 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/n1nncn1)=N\O)=O |
| InChI | InChI=1S/C8H6N6O3/c15-11-8(13-10-5-9-12-13)6-1-3-7(4-2-6)14(16)17/h1-5,15H |
| InChIK | ZYIWHQKNSYYPEP-UHFFFAOYSA-N |
| TotalMolweight | 234.175 |
| Molweight | 234.175 |
| MonoisotopicMass | 234.050139 |
| CLogP | 1.287 |
| CLogS | -3.399 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 171.49 |
| Relative PSA | 0.55286 |
| PolarSurfaceArea | 122.01 |
| Druglikeness | -7.7539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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