N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C26H21N2O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C26H21N2O2Br |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C26H21BrN2O2/c27-24-15-20(13-14-25(24)31-18-19-7-2-1-3-8-19)17-28-29-26(30)16-22-11-6-10-21-9-4-5-12-23(21)22/h1-15,17H,16,18H2,(H,29,30) |
| InChIK | IUOIMOZRCDAQDO-UHFFFAOYSA-N |
| TotalMolweight | 473.369 |
| Molweight | 473.369 |
| MonoisotopicMass | 472.078639 |
| CLogP | 6.4674 |
| CLogS | -7.467 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 337.5 |
| Relative PSA | 0.13633 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2186 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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