N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-cyanophenoxy)acetamide
Formula:C20H14N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-cyanophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-cyanophenoxy)acetamide |
| MolecularFormula | C20H14N3O3Cl |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c1ccc(-c(cc2)ccc2Cl)o1)=O |
| InChI | InChI=1S/C20H14ClN3O3/c21-16-7-5-14(6-8-16)19-10-9-17(27-19)12-23-24-20(25)13-26-18-4-2-1-3-15(18)11-22/h1-10,12H,13H2,(H,24,25) |
| InChIK | QUHCKRXUPNKJQZ-UHFFFAOYSA-N |
| TotalMolweight | 379.802 |
| Molweight | 379.802 |
| MonoisotopicMass | 379.072369 |
| CLogP | 4.157 |
| CLogS | -6.47 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.33 |
| Relative PSA | 0.24781 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | 2.1537 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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