N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]aniline
Formula:C14H11N2O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]aniline |
| MolecularFormula | C14H11N2O2Br |
| Smiles | Brc1c(/C=N\Nc2ccccc2)cc2OCOc2c1 |
| InChI | InChI=1S/C14H11BrN2O2/c15-12-7-14-13(18-9-19-14)6-10(12)8-16-17-11-4-2-1-3-5-11/h1-8,17H,9H2 |
| InChIK | RNNAIEGOHGZMPJ-UHFFFAOYSA-N |
| TotalMolweight | 319.157 |
| Molweight | 319.157 |
| MonoisotopicMass | 318.000389 |
| CLogP | 5.6775 |
| CLogS | -4.694 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.13 |
| Relative PSA | 0.20646 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 0.12087 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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