(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one
Molecular Formula : C15H10OBrClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-bromophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one |
MolecularFormula : C15H10OBrClS |
Smiles : O=C(/C=C/Sc(cc1)ccc1Cl)c(cc1)ccc1Br |
InChI : InChI=1S/C15H10BrClOS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-10H |
InChIK : CDMGKAXCNGKUFB-UHFFFAOYSA-N |
TotalMolweight : 353.666 |
Molweight : 353.666 |
MonoisotopicMass : 351.932423 |
CLogP : 4.6815 |
CLogS : -5.798 |
H Acceptors : 1 |
TotalSurfaceArea : 228.81 |
Relative PSA : 0.13343 |
PolarSurfaceArea : 42.37 |
Druglikeness : -1.3747 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.73684 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
StereoCon : |