[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C22H16N2O4Br2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C22H16N2O4Br2 |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O |
| InChI | InChI=1S/C22H16Br2N2O4/c23-17-6-10-19(11-7-17)29-14-21(27)26-25-13-15-4-8-20(9-5-15)30-22(28)16-2-1-3-18(24)12-16/h1-13H,14H2,(H,26,27) |
| InChIK | ALOBMTCHNUASNE-UHFFFAOYSA-N |
| TotalMolweight | 532.187 |
| Molweight | 532.187 |
| MonoisotopicMass | 529.94768 |
| CLogP | 5.6574 |
| CLogS | -6.639 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.52 |
| Relative PSA | 0.2058 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.1789 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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