[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-phenylacetate
Formula:C16H13NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-phenylacetate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-phenylacetate |
| MolecularFormula | C16H13NO4 |
| Smiles | O=C(Cc1ccccc1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H13NO4/c18-16(9-12-4-2-1-3-5-12)21-17-10-13-6-7-14-15(8-13)20-11-19-14/h1-8,10H,9,11H2 |
| InChIK | JQOVBBJPPKAPGI-UHFFFAOYSA-N |
| TotalMolweight | 283.282 |
| Molweight | 283.282 |
| MonoisotopicMass | 283.084459 |
| CLogP | 4.0276 |
| CLogS | -4.447 |
| H Acceptors | 5 |
| TotalSurfaceArea | 219.55 |
| Relative PSA | 0.24846 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -4.4488 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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