(NZ)-N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
Formula:C11H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine |
| MolecularFormula | C11H13N3O3 |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1N1CCCC1)=O |
| InChI | InChI=1S/C11H13N3O3/c15-12-8-9-3-4-10(11(7-9)14(16)17)13-5-1-2-6-13/h3-4,7-8,15H,1-2,5-6H2 |
| InChIK | MNAFCQXXESLFJC-UHFFFAOYSA-N |
| TotalMolweight | 235.242 |
| Molweight | 235.242 |
| MonoisotopicMass | 235.095692 |
| CLogP | 1.7837 |
| CLogS | -3.497 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 179.88 |
| Relative PSA | 0.32566 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -2.9223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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