(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one
Molecular Formula : C15H10O3BrClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylprop-2-en-1-one |
MolecularFormula : C15H10O3BrClS |
Smiles : O=C(/C=C/S(c(cc1)ccc1Cl)(=O)=O)c(cc1)ccc1Br |
InChI : InChI=1S/C15H10BrClO3S/c16-12-3-1-11(2-4-12)15(18)9-10-21(19,20)14-7-5-13(17)6-8-14/h1-10H |
InChIK : ZXLOKUVSXPQRSB-UHFFFAOYSA-N |
TotalMolweight : 385.664 |
Molweight : 385.664 |
MonoisotopicMass : 383.922253 |
CLogP : 3.2063 |
CLogS : -5.367 |
H Acceptors : 3 |
TotalSurfaceArea : 239.9 |
Relative PSA : 0.17349 |
PolarSurfaceArea : 59.59 |
Druglikeness : -1.6077 |
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 : |