[3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C22H13N3O4Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H13N3O4Cl4 |
| Smiles | O=C(C(N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C22H13Cl4N3O4/c23-13-4-6-16(18(26)9-13)22(32)33-15-3-1-2-12(8-15)11-27-29-21(31)20(30)28-19-10-14(24)5-7-17(19)25/h1-11H,(H,28,30)(H,29,31) |
| InChIK | XQKOKLGQYHCTKM-UHFFFAOYSA-N |
| TotalMolweight | 525.174 |
| Molweight | 525.174 |
| MonoisotopicMass | 522.966015 |
| CLogP | 5.9984 |
| CLogS | -7.939 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 365.39 |
| Relative PSA | 0.22866 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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