(6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Formula:C16H13O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one is a drug-like molecule.
| MolName | (6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one |
| MolecularFormula | C16H13O2Br |
| Smiles | O=C(C(CC1)c2cccc3ccccc23)O/C1=C/Br |
| InChI | InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/t15-/m1/s1 |
| InChIK | BYUCSFWXCMTYOI-OAHLLOKOSA-N |
| TotalMolweight | 317.181 |
| Molweight | 317.181 |
| MonoisotopicMass | 316.009891 |
| CLogP | 3.9948 |
| CLogS | -5.279 |
| H Acceptors | 2 |
| TotalSurfaceArea | 205.47 |
| Relative PSA | 0.11213 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.9121 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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