(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Molecular Formula : C19H12O2BrF | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
MolName : (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one |
MolecularFormula : C19H12O2BrF |
Smiles : O=C(/C=C/c1ccc(-c(cc2)ccc2Br)o1)c(cc1)ccc1F |
InChI : InChI=1S/C19H12BrFO2/c20-15-5-1-14(2-6-15)19-12-10-17(23-19)9-11-18(22)13-3-7-16(21)8-4-13/h1-12H |
InChIK : ZVXNLUOEWFXBCO-UHFFFAOYSA-N |
TotalMolweight : 371.204 |
Molweight : 371.204 |
MonoisotopicMass : 370.000469 |
CLogP : 5.0687 |
CLogS : -6.448 |
H Acceptors : 2 |
TotalSurfaceArea : 251.7 |
Relative PSA : 0.10787 |
PolarSurfaceArea : 30.21 |
Druglikeness : -1.3776 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Symmetricatoms : 4 |
StereoCon : |