4-chloro-3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H16N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H16N3O4Cl |
| Smiles | [O-][N+](c(cc(cc1)C(N/N=C\c(cc2)ccc2OCc2ccccc2)=O)c1Cl)=O |
| InChI | InChI=1S/C21H16ClN3O4/c22-19-11-8-17(12-20(19)25(27)28)21(26)24-23-13-15-6-9-18(10-7-15)29-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,24,26) |
| InChIK | XAWWDCNLTVZKNZ-UHFFFAOYSA-N |
| TotalMolweight | 409.828 |
| Molweight | 409.828 |
| MonoisotopicMass | 409.082934 |
| CLogP | 4.2341 |
| CLogS | -6.258 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.6 |
| Relative PSA | 0.24687 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 4-chloro-3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off