N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide
Formula:C26H20N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C26H20N3O3Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C26H20ClN3O3/c27-21-12-8-19(9-13-21)17-33-22-14-10-18(11-15-22)16-28-30-26(32)25(31)29-24-7-3-5-20-4-1-2-6-23(20)24/h1-16H,17H2,(H,29,31)(H,30,32) |
| InChIK | JOXRGPUPZHRUAH-UHFFFAOYSA-N |
| TotalMolweight | 457.916 |
| Molweight | 457.916 |
| MonoisotopicMass | 457.119319 |
| CLogP | 5.2924 |
| CLogS | -7.208 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 349.74 |
| Relative PSA | 0.20161 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.4149 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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