(3E)-3-[(3-bromophenyl)methylidene]chromen-4-one
Formula:C16H11O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3-bromophenyl)methylidene]chromen-4-one is a drug-like molecule.
| MolName | (3E)-3-[(3-bromophenyl)methylidene]chromen-4-one |
| MolecularFormula | C16H11O2Br |
| Smiles | O=C1c(cccc2)c2OC/C1=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C16H11BrO2/c17-13-5-3-4-11(9-13)8-12-10-19-15-7-2-1-6-14(15)16(12)18/h1-9H,10H2 |
| InChIK | KPKOOEBNUIRGTE-UHFFFAOYSA-N |
| TotalMolweight | 315.165 |
| Molweight | 315.165 |
| MonoisotopicMass | 313.994241 |
| CLogP | 4.149 |
| CLogS | -4.662 |
| H Acceptors | 2 |
| TotalSurfaceArea | 204.37 |
| Relative PSA | 0.11274 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| 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 | 2 |
| StereoCon |
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