[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H16N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H16N3O4Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C22H16ClN3O4/c23-18-8-4-5-9-19(18)25-20(27)21(28)26-24-14-15-10-12-17(13-11-15)30-22(29)16-6-2-1-3-7-16/h1-14H,(H,25,27)(H,26,28) |
| InChIK | WZBHRGNWITZNHE-UHFFFAOYSA-N |
| TotalMolweight | 421.839 |
| Molweight | 421.839 |
| MonoisotopicMass | 421.082934 |
| CLogP | 4.1804 |
| CLogS | -5.731 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 319.13 |
| Relative PSA | 0.26181 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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