(E)-1-(3-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C22H17O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(3-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C22H17O2Br |
| Smiles | O=C(/C=C/c1cc(OCc2ccccc2)ccc1)c1cccc(Br)c1 |
| InChI | InChI=1S/C22H17BrO2/c23-20-10-5-9-19(15-20)22(24)13-12-17-8-4-11-21(14-17)25-16-18-6-2-1-3-7-18/h1-15H,16H2 |
| InChIK | CDVMSOBRBFGHFJ-UHFFFAOYSA-N |
| TotalMolweight | 393.279 |
| Molweight | 393.279 |
| MonoisotopicMass | 392.041191 |
| CLogP | 5.3771 |
| CLogS | -6.015 |
| H Acceptors | 2 |
| TotalSurfaceArea | 279.42 |
| Relative PSA | 0.082457 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -1.9275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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