N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]aniline
Formula:C16H13N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C16H13N2OBr |
| Smiles | C#CCOc(cc1)c(/C=N\Nc2ccccc2)cc1Br |
| InChI | InChI=1S/C16H13BrN2O/c1-2-10-20-16-9-8-14(17)11-13(16)12-18-19-15-6-4-3-5-7-15/h1,3-9,11-12,19H,10H2 |
| InChIK | YQGQVWBVYARNIA-UHFFFAOYSA-N |
| TotalMolweight | 329.196 |
| Molweight | 329.196 |
| MonoisotopicMass | 328.021124 |
| CLogP | 5.5233 |
| CLogS | -4.625 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.44 |
| Relative PSA | 0.14004 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -0.1325 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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