(NZ)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]hydroxylamine
Formula:C11H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]hydroxylamine |
| MolecularFormula | C11H13N3O4 |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C11H13N3O4/c15-12-8-9-1-2-10(11(7-9)14(16)17)13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2 |
| InChIK | MEVRRKYKPCBYHM-UHFFFAOYSA-N |
| TotalMolweight | 251.241 |
| Molweight | 251.241 |
| MonoisotopicMass | 251.090607 |
| CLogP | 0.9617 |
| CLogS | -2.878 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 189.88 |
| Relative PSA | 0.36118 |
| PolarSurfaceArea | 90.88 |
| Druglikeness | -3.6435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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