[4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C26H19N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C26H19N2O4Br |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H19BrN2O4/c27-22-11-13-24(33-26(31)19-7-2-1-3-8-19)21(14-22)16-28-29-25(30)17-32-23-12-10-18-6-4-5-9-20(18)15-23/h1-16H,17H2,(H,29,30) |
| InChIK | WECLEDONSXOWGI-UHFFFAOYSA-N |
| TotalMolweight | 503.351 |
| Molweight | 503.351 |
| MonoisotopicMass | 502.052819 |
| CLogP | 6.1266 |
| CLogS | -7.411 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 351.49 |
| Relative PSA | 0.19645 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.1789 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
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