(Z)-1-(4-chloro-3-nitrophenyl)-N-morpholin-4-ylmethanimine
Formula:C11H12N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(4-chloro-3-nitrophenyl)-N-morpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(4-chloro-3-nitrophenyl)-N-morpholin-4-ylmethanimine |
| MolecularFormula | C11H12N3O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\N1CCOCC1)cc1)c1Cl)=O |
| InChI | InChI=1S/C11H12ClN3O3/c12-10-2-1-9(7-11(10)15(16)17)8-13-14-3-5-18-6-4-14/h1-2,7-8H,3-6H2 |
| InChIK | YGLJKLQYZYNIHD-UHFFFAOYSA-N |
| TotalMolweight | 269.687 |
| Molweight | 269.687 |
| MonoisotopicMass | 269.056719 |
| CLogP | 1.1759 |
| CLogS | -3.027 |
| H Acceptors | 6 |
| TotalSurfaceArea | 198.95 |
| Relative PSA | 0.27886 |
| PolarSurfaceArea | 70.65 |
| Druglikeness | -2.2903 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| 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 | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(4-chloro-3-nitrophenyl)-N-morpholin-4-ylmethanimine | 2 - (Z)-1-(4-chloro-3-nitrophenyl)-N-morpholin-4-ylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off