[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H15N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H15N3O4Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C22H15Cl2N3O4/c23-18-11-8-16(12-19(18)24)26-20(28)21(29)27-25-13-14-6-9-17(10-7-14)31-22(30)15-4-2-1-3-5-15/h1-13H,(H,26,28)(H,27,29) |
| InChIK | RGYWNNOMHZGXSK-UHFFFAOYSA-N |
| TotalMolweight | 456.284 |
| Molweight | 456.284 |
| MonoisotopicMass | 455.043961 |
| CLogP | 4.7864 |
| CLogS | -6.467 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.55 |
| Relative PSA | 0.24974 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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