MolName : (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one |
MolecularFormula : C24H20O4 |
Smiles : O=C(/C=C/c(cccc1)c1OCc1ccccc1)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C24H20O4/c25-21(20-11-13-23-24(16-20)27-15-14-26-23)12-10-19-8-4-5-9-22(19)28-17-18-6-2-1-3-7-18/h1-13,16H,14-15,17H2 |
InChIK : QRNHVXYBMLRRAQ-UHFFFAOYSA-N |
TotalMolweight : 372.419 |
Molweight : 372.419 |
MonoisotopicMass : 372.13616 |
CLogP : 4.6307 |
CLogS : -5.363 |
H Acceptors : 4 |
TotalSurfaceArea : 294.81 |
Relative PSA : 0.14599 |
PolarSurfaceArea : 44.76 |
Druglikeness : -7.0175 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.60714 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |