(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylprop-2-en-1-one
Molecular Formula : C18H16O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylprop-2-en-1-one |
MolecularFormula : C18H16O3 |
Smiles : O=C(/C=C/c1ccccc1)c(cc1)cc2c1OCCCO2 |
InChI : InChI=1S/C18H16O3/c19-16(9-7-14-5-2-1-3-6-14)15-8-10-17-18(13-15)21-12-4-11-20-17/h1-3,5-10,13H,4,11-12H2 |
InChIK : OLJNFPBUBSDEIS-UHFFFAOYSA-N |
TotalMolweight : 280.322 |
Molweight : 280.322 |
MonoisotopicMass : 280.109945 |
CLogP : 3.6246 |
CLogS : -4.292 |
H Acceptors : 3 |
TotalSurfaceArea : 225.05 |
Relative PSA : 0.14681 |
PolarSurfaceArea : 35.53 |
Druglikeness : -0.39359 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
StereoCon : |