(NZ)-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]hydroxylamine
Formula:C12H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C12H11N3O3 |
| Smiles | [O-][N+](c1c(Cn2c(/C=N\O)ccc2)cccc1)=O |
| InChI | InChI=1S/C12H11N3O3/c16-13-8-11-5-3-7-14(11)9-10-4-1-2-6-12(10)15(17)18/h1-8,16H,9H2 |
| InChIK | TWXDIFYLFUYLHL-UHFFFAOYSA-N |
| TotalMolweight | 245.237 |
| Molweight | 245.237 |
| MonoisotopicMass | 245.080042 |
| CLogP | 1.5595 |
| CLogS | -2.276 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 190.76 |
| Relative PSA | 0.32449 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | -2.3973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]hydroxylamine
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