[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H16N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H16N2O3BrCl |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H16BrClN2O3/c23-18-8-11-20(29-22(28)16-6-9-19(24)10-7-16)17(13-18)14-25-26-21(27)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,26,27) |
| InChIK | SOCANAFYIAKFCW-UHFFFAOYSA-N |
| TotalMolweight | 471.737 |
| Molweight | 471.737 |
| MonoisotopicMass | 470.003281 |
| CLogP | 5.9614 |
| CLogS | -6.726 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.31 |
| Relative PSA | 0.18321 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2898 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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