[3-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C22H16N2O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[3-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C22H16N2O4BrCl |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1 |
| InChI | InChI=1S/C22H16BrClN2O4/c23-17-5-2-4-16(12-17)22(28)30-20-6-1-3-15(11-20)13-25-26-21(27)14-29-19-9-7-18(24)8-10-19/h1-13H,14H2,(H,26,27) |
| InChIK | BGDPLXXMTKVQGX-UHFFFAOYSA-N |
| TotalMolweight | 487.736 |
| Molweight | 487.736 |
| MonoisotopicMass | 485.998196 |
| CLogP | 5.5382 |
| CLogS | -6.541 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.31 |
| Relative PSA | 0.20779 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.2306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| StereoCon |
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1 - [3-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [3-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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