(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine
Formula:C18H17N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine |
| MolecularFormula | C18H17N3O4Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\OCc(c(Cl)ccc1)c1Cl)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H17Cl2N3O4/c19-15-2-1-3-16(20)14(15)12-27-21-11-13-4-5-17(18(10-13)23(24)25)22-6-8-26-9-7-22/h1-5,10-11H,6-9,12H2 |
| InChIK | NGBQEQAKYGJROX-UHFFFAOYSA-N |
| TotalMolweight | 410.256 |
| Molweight | 410.256 |
| MonoisotopicMass | 409.059611 |
| CLogP | 3.7951 |
| CLogS | -5.677 |
| H Acceptors | 7 |
| TotalSurfaceArea | 297.89 |
| Relative PSA | 0.21981 |
| PolarSurfaceArea | 79.88 |
| Druglikeness | -2.8769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine | 2 - (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off