[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-bromobenzoate
Formula:C15H10NO4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-bromobenzoate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-bromobenzoate |
| MolecularFormula | C15H10NO4Br |
| Smiles | O=C(c(cccc1)c1Br)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H10BrNO4/c16-12-4-2-1-3-11(12)15(18)21-17-8-10-5-6-13-14(7-10)20-9-19-13/h1-8H,9H2 |
| InChIK | KHSPTYRGZYCPIY-UHFFFAOYSA-N |
| TotalMolweight | 348.151 |
| Molweight | 348.151 |
| MonoisotopicMass | 346.97932 |
| CLogP | 4.7547 |
| CLogS | -5.316 |
| H Acceptors | 5 |
| TotalSurfaceArea | 224.42 |
| Relative PSA | 0.24307 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -5.1781 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-bromobenzoate | 2 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] 2-bromobenzoate
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