[4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H12N2O3BrCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H12N2O3BrCl3 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H12BrCl3N2O3/c22-15-4-8-19(30-21(29)12-1-5-16(23)6-2-12)14(9-15)11-26-27-20(28)13-3-7-17(24)18(25)10-13/h1-11H,(H,27,28) |
| InChIK | KPDPMJLXBGDKMN-UHFFFAOYSA-N |
| TotalMolweight | 526.6 |
| Molweight | 526.6 |
| MonoisotopicMass | 523.909685 |
| CLogP | 7.1753 |
| CLogS | -8.233 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.39 |
| Relative PSA | 0.17399 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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