(E)-1-(3-bromophenyl)-3-[4-(thietan-3-yloxy)phenyl]prop-2-en-1-one
Formula:C18H15O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-bromophenyl)-3-[4-(thietan-3-yloxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-bromophenyl)-3-[4-(thietan-3-yloxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C18H15O2BrS |
| Smiles | O=C(/C=C/c(cc1)ccc1OC1CSC1)c1cccc(Br)c1 |
| InChI | InChI=1S/C18H15BrO2S/c19-15-3-1-2-14(10-15)18(20)9-6-13-4-7-16(8-5-13)21-17-11-22-12-17/h1-10,17H,11-12H2 |
| InChIK | LGOOIKFUNRCIKI-UHFFFAOYSA-N |
| TotalMolweight | 375.285 |
| Molweight | 375.285 |
| MonoisotopicMass | 373.997611 |
| CLogP | 4.0736 |
| CLogS | -5.523 |
| H Acceptors | 2 |
| TotalSurfaceArea | 249.91 |
| Relative PSA | 0.16218 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | -0.85761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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