(Z)-N-morpholin-4-yl-1-(5-nitrofuran-2-yl)methanimine
Formula:C9H11N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-morpholin-4-yl-1-(5-nitrofuran-2-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-1-(5-nitrofuran-2-yl)methanimine |
| MolecularFormula | C9H11N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\N2CCOCC2)o1)=O |
| InChI | InChI=1S/C9H11N3O4/c13-12(14)9-2-1-8(16-9)7-10-11-3-5-15-6-4-11/h1-2,7H,3-6H2 |
| InChIK | PRECDDVTRIELSX-UHFFFAOYSA-N |
| TotalMolweight | 225.203 |
| Molweight | 225.203 |
| MonoisotopicMass | 225.074957 |
| CLogP | 0.11 |
| CLogS | -2.498 |
| H Acceptors | 7 |
| TotalSurfaceArea | 173.22 |
| Relative PSA | 0.40174 |
| PolarSurfaceArea | 83.79 |
| Druglikeness | 2.1541 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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