(NZ)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydroxylamine
Formula:C11H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C11H9N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\O)ccc1)=O |
| InChI | InChI=1S/C11H9N3O3/c15-12-8-11-2-1-7-13(11)9-3-5-10(6-4-9)14(16)17/h1-8,15H |
| InChIK | CYQAVAHBLVZOGG-UHFFFAOYSA-N |
| TotalMolweight | 231.21 |
| Molweight | 231.21 |
| MonoisotopicMass | 231.064392 |
| CLogP | 1.5316 |
| CLogS | -5.112 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 177 |
| Relative PSA | 0.34972 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | -3.547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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