[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2,6-dichlorobenzoate
Formula:C15H9NO4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2,6-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2,6-dichlorobenzoate |
| MolecularFormula | C15H9NO4Cl2 |
| Smiles | O=C(c(c(Cl)ccc1)c1Cl)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H9Cl2NO4/c16-10-2-1-3-11(17)14(10)15(19)22-18-7-9-4-5-12-13(6-9)21-8-20-12/h1-7H,8H2 |
| InChIK | GRPUBNUQOKHXQQ-UHFFFAOYSA-N |
| TotalMolweight | 338.145 |
| Molweight | 338.145 |
| MonoisotopicMass | 336.990863 |
| CLogP | 5.2415 |
| CLogS | -5.954 |
| H Acceptors | 5 |
| TotalSurfaceArea | 236.63 |
| Relative PSA | 0.23053 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -3.2828 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2,6-dichlorobenzoate | 2 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2,6-dichlorobenzoate
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