[(Z)-1,3-benzodioxol-5-ylmethylideneamino] benzoate
Formula:C15H11NO4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] benzoate |
| MolecularFormula | C15H11NO4 |
| Smiles | O=C(c1ccccc1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H11NO4/c17-15(12-4-2-1-3-5-12)20-16-9-11-6-7-13-14(8-11)19-10-18-13/h1-9H,10H2 |
| InChIK | CVSIPIILOKRJOU-UHFFFAOYSA-N |
| TotalMolweight | 269.255 |
| Molweight | 269.255 |
| MonoisotopicMass | 269.068809 |
| CLogP | 4.0295 |
| CLogS | -4.482 |
| H Acceptors | 5 |
| TotalSurfaceArea | 205.79 |
| Relative PSA | 0.26508 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -3.3881 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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