(2E)-6-bromo-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
Formula:C15H10NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-6-bromo-2-(pyridin-2-ylmethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-6-bromo-2-(pyridin-2-ylmethylidene)-3H-inden-1-one |
| MolecularFormula | C15H10NOBr |
| Smiles | O=C(/C(/C1)=C/c2ncccc2)c2c1ccc(Br)c2 |
| InChI | InChI=1S/C15H10BrNO/c16-12-5-4-10-7-11(15(18)14(10)9-12)8-13-3-1-2-6-17-13/h1-6,8-9H,7H2 |
| InChIK | KMTFIEFEQBWEHE-UHFFFAOYSA-N |
| TotalMolweight | 300.154 |
| Molweight | 300.154 |
| MonoisotopicMass | 298.994575 |
| CLogP | 3.4491 |
| CLogS | -4.076 |
| H Acceptors | 2 |
| TotalSurfaceArea | 193.13 |
| Relative PSA | 0.12432 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -0.82683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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