N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C26H20N2O2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C26H20N2O2BrCl |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)cc(Br)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C26H20BrClN2O2/c27-23-14-18(12-13-25(23)32-17-21-7-2-4-11-24(21)28)16-29-30-26(31)15-20-9-5-8-19-6-1-3-10-22(19)20/h1-14,16H,15,17H2,(H,30,31) |
| InChIK | RNTQOGXJOBLKKS-UHFFFAOYSA-N |
| TotalMolweight | 507.814 |
| Molweight | 507.814 |
| MonoisotopicMass | 506.039666 |
| CLogP | 7.0734 |
| CLogS | -8.203 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 352.92 |
| Relative PSA | 0.13037 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2596 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| StereoCon |
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