(E)-1-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one
Molecular Formula : C19H12O2Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(E)-1-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
MolName : (E)-1-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-en-1-one |
MolecularFormula : C19H12O2Cl2 |
Smiles : O=C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)c(cc1)ccc1Cl |
InChI : InChI=1S/C19H12Cl2O2/c20-15-5-1-13(2-6-15)18(22)11-9-17-10-12-19(23-17)14-3-7-16(21)8-4-14/h1-12H |
InChIK : NQSFZXLHJVRJGK-UHFFFAOYSA-N |
TotalMolweight : 343.208 |
Molweight : 343.208 |
MonoisotopicMass : 342.021434 |
CLogP : 5.4547 |
CLogS : -6.772 |
H Acceptors : 2 |
TotalSurfaceArea : 257.56 |
Relative PSA : 0.10541 |
PolarSurfaceArea : 30.21 |
Druglikeness : 1.823 |
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 : |