[4-chloro-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Formula:C22H15N2O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-chloro-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.
| MolName | [4-chloro-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate |
| MolecularFormula | C22H15N2O6Cl |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc(cc1)Cl)c1OC(c(cc1)cc2c1OCO2)=O)=O |
| InChI | InChI=1S/C22H15ClN2O6/c23-15-6-8-18(31-22(28)13-5-7-19-20(10-13)30-12-29-19)14(9-15)11-24-25-21(27)16-3-1-2-4-17(16)26/h1-11,26H,12H2,(H,25,27) |
| InChIK | WJMZMWPIOYYARO-UHFFFAOYSA-N |
| TotalMolweight | 438.822 |
| Molweight | 438.822 |
| MonoisotopicMass | 438.061865 |
| CLogP | 5.0038 |
| CLogS | -6.342 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 316.53 |
| Relative PSA | 0.29113 |
| PolarSurfaceArea | 106.45 |
| Druglikeness | 4.0078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - [4-chloro-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [4-chloro-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
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