N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]benzamide
Formula:C22H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H19N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1OCCOc1c(/C=N\NC(c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C22H19N3O5/c26-22(17-6-2-1-3-7-17)24-23-16-18-8-4-5-9-21(18)30-15-14-29-20-12-10-19(11-13-20)25(27)28/h1-13,16H,14-15H2,(H,24,26) |
| InChIK | OFIRHTXDXFIUMM-UHFFFAOYSA-N |
| TotalMolweight | 405.409 |
| Molweight | 405.409 |
| MonoisotopicMass | 405.132472 |
| CLogP | 3.635 |
| CLogS | -5.449 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 317.94 |
| Relative PSA | 0.27184 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -7.9957 |
| 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 | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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