(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-en-1-one
Molecular Formula : C21H16O3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-naphthalen-1-ylprop-2-en-1-one |
MolecularFormula : C21H16O3 |
Smiles : O=C(/C=C/c1cccc2ccccc12)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C21H16O3/c22-19(17-9-11-20-21(14-17)24-13-12-23-20)10-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,14H,12-13H2 |
InChIK : CNXPNAIWIWXCFI-UHFFFAOYSA-N |
TotalMolweight : 316.355 |
Molweight : 316.355 |
MonoisotopicMass : 316.109945 |
CLogP : 4.477 |
CLogS : -5.628 |
H Acceptors : 3 |
TotalSurfaceArea : 245.89 |
Relative PSA : 0.13437 |
PolarSurfaceArea : 35.53 |
Druglikeness : -7.0175 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58333 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 4 |
StereoCon : |