(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylprop-2-en-1-one
Molecular Formula : C16H13NO3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-ylprop-2-en-1-one |
MolecularFormula : C16H13NO3 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c1cnccc1 |
InChI : InChI=1S/C16H13NO3/c18-14(13-2-1-7-17-11-13)5-3-12-4-6-15-16(10-12)20-9-8-19-15/h1-7,10-11H,8-9H2 |
InChIK : CVMYQIRXYKLILC-UHFFFAOYSA-N |
TotalMolweight : 267.283 |
Molweight : 267.283 |
MonoisotopicMass : 267.089544 |
CLogP : 2.2817 |
CLogS : -3.227 |
H Acceptors : 4 |
TotalSurfaceArea : 210.05 |
Relative PSA : 0.20952 |
PolarSurfaceArea : 48.42 |
Druglikeness : -6.8337 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |