N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline
Formula:C14H11N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline |
| MolecularFormula | C14H11N2O2Br |
| Smiles | Brc(cc1)ccc1N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C14H11BrN2O2/c15-11-2-4-12(5-3-11)17-16-8-10-1-6-13-14(7-10)19-9-18-13/h1-8,17H,9H2 |
| InChIK | KRQNYUIAAJLRIN-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 | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| 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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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromoaniline
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