(E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one
Molecular Formula : C18H12O3I2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one is not a drug-like molecule.
MolName : (E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one |
MolecularFormula : C18H12O3I2 |
Smiles : O=C(/C=C/O/C=C/C(c(cc1)ccc1I)=O)c(cc1)ccc1I |
InChI : InChI=1S/C18H12I2O3/c19-15-5-1-13(2-6-15)17(21)9-11-23-12-10-18(22)14-3-7-16(20)8-4-14/h1-12H |
InChIK : OXIFIUZKKPMYDQ-UHFFFAOYSA-N |
TotalMolweight : 530.09 |
Molweight : 530.09 |
MonoisotopicMass : 529.887591 |
CLogP : 3.2821 |
CLogS : -6.557 |
H Acceptors : 3 |
TotalSurfaceArea : 284.08 |
Relative PSA : 0.12701 |
PolarSurfaceArea : 43.37 |
Druglikeness : 0.062784 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.73913 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 13 |
StereoCon : |