2-(2-chlorophenoxy)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H18N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenoxy)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-chlorophenoxy)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N3O3Cl |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(COc(cccc3)c3Cl)=O)cc2)cccc1 |
| InChI | InChI=1S/C23H18ClN3O3/c24-21-7-3-4-8-22(21)30-16-23(28)27-26-14-17-9-11-20(12-10-17)29-15-19-6-2-1-5-18(19)13-25/h1-12,14H,15-16H2,(H,27,28) |
| InChIK | NNRLGOCQPWHOGF-UHFFFAOYSA-N |
| TotalMolweight | 419.867 |
| Molweight | 419.867 |
| MonoisotopicMass | 419.103669 |
| CLogP | 4.5662 |
| CLogS | -6.351 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.4 |
| Relative PSA | 0.20993 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -0.052232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]acetamide
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