(Z)-N-morpholin-4-yl-1-(3-nitrophenyl)methanimine
Formula:C11H13N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-morpholin-4-yl-1-(3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C11H13N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\N2CCOCC2)ccc1)=O |
| InChI | InChI=1S/C11H13N3O3/c15-14(16)11-3-1-2-10(8-11)9-12-13-4-6-17-7-5-13/h1-3,8-9H,4-7H2 |
| InChIK | VPEZRWQQRRMTTH-UHFFFAOYSA-N |
| TotalMolweight | 235.242 |
| Molweight | 235.242 |
| MonoisotopicMass | 235.095692 |
| CLogP | 0.5699 |
| CLogS | -2.291 |
| H Acceptors | 6 |
| TotalSurfaceArea | 183.53 |
| Relative PSA | 0.30229 |
| PolarSurfaceArea | 70.65 |
| Druglikeness | -2.3195 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| 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 | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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