N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C22H18N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C22H18N3O5Cl |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1)=O)=O |
| InChI | InChI=1S/C22H18ClN3O5/c23-18-10-8-16(9-11-18)14-30-19-5-3-4-17(12-19)13-24-25-22(27)15-31-21-7-2-1-6-20(21)26(28)29/h1-13H,14-15H2,(H,25,27) |
| InChIK | TXWIXIWLIQZXRM-UHFFFAOYSA-N |
| TotalMolweight | 439.854 |
| Molweight | 439.854 |
| MonoisotopicMass | 439.093499 |
| CLogP | 3.809 |
| CLogS | -6.038 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 333.36 |
| Relative PSA | 0.25927 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide | 2 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off