[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Formula:C21H14N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C21H14N2O3Cl2 |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C21H14Cl2N2O3/c22-16-8-11-18(19(23)12-16)21(27)28-17-9-6-14(7-10-17)13-24-25-20(26)15-4-2-1-3-5-15/h1-13H,(H,25,26) |
| InChIK | WLMSYAQBRYXTNX-UHFFFAOYSA-N |
| TotalMolweight | 413.259 |
| Molweight | 413.259 |
| MonoisotopicMass | 412.038147 |
| CLogP | 5.8441 |
| CLogS | -6.663 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.34 |
| Relative PSA | 0.19339 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
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