(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenylbut-2-ene-1,4-dione
Molecular Formula : C24H18O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenylbut-2-ene-1,4-dione is a drug-like molecule.
MolName : (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenylbut-2-ene-1,4-dione |
MolecularFormula : C24H18O4 |
Smiles : O=C(/C=C(\C(c1ccccc1)=O)/c1ccccc1)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C24H18O4/c25-21(19-11-12-22-23(15-19)28-14-13-27-22)16-20(17-7-3-1-4-8-17)24(26)18-9-5-2-6-10-18/h1-12,15-16H,13-14H2 |
InChIK : XIVHZFXLBCCFQT-UHFFFAOYSA-N |
TotalMolweight : 370.403 |
Molweight : 370.403 |
MonoisotopicMass : 370.12051 |
CLogP : 4.0566 |
CLogS : -5.067 |
H Acceptors : 4 |
TotalSurfaceArea : 287.01 |
Relative PSA : 0.16055 |
PolarSurfaceArea : 52.6 |
Druglikeness : -6.1153 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
StereoCon : |