[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C22H16N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H16N2O3Cl2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H16Cl2N2O3/c23-17-8-11-19(20(24)13-17)22(28)29-18-9-6-16(7-10-18)14-25-26-21(27)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,26,27) |
| InChIK | GGNKTEIMCZOUKE-UHFFFAOYSA-N |
| TotalMolweight | 427.286 |
| Molweight | 427.286 |
| MonoisotopicMass | 426.053797 |
| CLogP | 5.8422 |
| CLogS | -6.628 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.1 |
| Relative PSA | 0.18505 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| 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 |
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