(6-bromonaphthalen-2-yl) (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C19H12O2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(6-bromonaphthalen-2-yl) (E)-3-(2-chlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | (6-bromonaphthalen-2-yl) (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C19H12O2BrCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Oc1ccc(cc(cc2)Br)c2c1 |
| InChI | InChI=1S/C19H12BrClO2/c20-16-8-5-15-12-17(9-6-14(15)11-16)23-19(22)10-7-13-3-1-2-4-18(13)21/h1-12H |
| InChIK | TYAALGQUKCQLFN-UHFFFAOYSA-N |
| TotalMolweight | 387.659 |
| Molweight | 387.659 |
| MonoisotopicMass | 385.970918 |
| CLogP | 5.9449 |
| CLogS | -6.632 |
| H Acceptors | 2 |
| TotalSurfaceArea | 255.92 |
| Relative PSA | 0.090028 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -4.9799 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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