(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-en-1-one
Molecular Formula : C17H13O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-en-1-one |
MolecularFormula : C17H13O3F |
Smiles : O=C(/C=C/c1cccc(F)c1)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H13FO3/c18-14-3-1-2-12(10-14)4-6-15(19)13-5-7-16-17(11-13)21-9-8-20-16/h1-7,10-11H,8-9H2 |
InChIK : DBGGNIOBGXTNIB-UHFFFAOYSA-N |
TotalMolweight : 284.285 |
Molweight : 284.285 |
MonoisotopicMass : 284.084873 |
CLogP : 3.3834 |
CLogS : -4.336 |
H Acceptors : 3 |
TotalSurfaceArea : 217.64 |
Relative PSA : 0.15181 |
PolarSurfaceArea : 35.53 |
Druglikeness : -8.3575 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
StereoCon : |