[1-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H18N2O4BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H18N2O4BrCl |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H18BrClN2O4/c27-18-10-12-19(13-11-18)33-16-25(31)30-29-15-22-20-6-2-1-5-17(20)9-14-24(22)34-26(32)21-7-3-4-8-23(21)28/h1-15H,16H2,(H,30,31) |
| InChIK | OWHKKAXJHRGRHF-UHFFFAOYSA-N |
| TotalMolweight | 537.796 |
| Molweight | 537.796 |
| MonoisotopicMass | 536.013846 |
| CLogP | 6.7326 |
| CLogS | -8.147 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 366.91 |
| Relative PSA | 0.18819 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.2306 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - [1-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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