N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C22H18N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C22H18N3O4Cl |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cccc2)c2OCc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C22H18ClN3O4/c23-19-9-5-17(6-10-19)15-30-21-4-2-1-3-18(21)14-24-25-22(27)13-16-7-11-20(12-8-16)26(28)29/h1-12,14H,13,15H2,(H,25,27) |
| InChIK | AKKSYBSQUAJMFK-UHFFFAOYSA-N |
| TotalMolweight | 423.855 |
| Molweight | 423.855 |
| MonoisotopicMass | 423.098584 |
| CLogP | 4.2322 |
| CLogS | -6.223 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.36 |
| Relative PSA | 0.23636 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide | 2 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off