(E)-3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)prop-2-en-1-one
Molecular Formula : C15H10O3BrFS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(4-bromophenyl)sulfonyl-1-(4-fluorophenyl)prop-2-en-1-one |
MolecularFormula : C15H10O3BrFS |
Smiles : O=C(/C=C/S(c(cc1)ccc1Br)(=O)=O)c(cc1)ccc1F |
InChI : InChI=1S/C15H10BrFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-10H |
InChIK : CBHAXJVJSBISQK-UHFFFAOYSA-N |
TotalMolweight : 369.209 |
Molweight : 369.209 |
MonoisotopicMass : 367.951804 |
CLogP : 2.7011 |
CLogS : -4.945 |
H Acceptors : 3 |
TotalSurfaceArea : 230.83 |
Relative PSA : 0.18031 |
PolarSurfaceArea : 59.59 |
Druglikeness : -0.57456 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 5 |
StereoCon : |