2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]aniline
Formula:C16H11NBr2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]aniline is a drug-like molecule.
| MolName | 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]aniline |
| MolecularFormula | C16H11NBr2 |
| Smiles | Nc(c(Br)cc(/C=C(/C=C1)\c2c1cccc2)c1)c1Br |
| InChI | InChI=1S/C16H11Br2N/c17-14-8-10(9-15(18)16(14)19)7-12-6-5-11-3-1-2-4-13(11)12/h1-9H,19H2 |
| InChIK | MRFOAGKTFFYICJ-UHFFFAOYSA-N |
| TotalMolweight | 377.078 |
| Molweight | 377.078 |
| MonoisotopicMass | 374.925821 |
| CLogP | 4.5805 |
| CLogS | -5.679 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 216.51 |
| Relative PSA | 0.070528 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -2.3274 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]aniline | 2 - 2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]aniline
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