(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one
Molecular Formula : C16H13NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one |
MolecularFormula : C16H13NO2 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCC2)c1ccncc1 |
InChI : InChI=1S/C16H13NO2/c18-15(13-5-8-17-9-6-13)3-1-12-2-4-16-14(11-12)7-10-19-16/h1-6,8-9,11H,7,10H2 |
InChIK : CKPBYRSOKLHRFJ-UHFFFAOYSA-N |
TotalMolweight : 251.284 |
Molweight : 251.284 |
MonoisotopicMass : 251.094629 |
CLogP : 2.5287 |
CLogS : -3.412 |
H Acceptors : 3 |
TotalSurfaceArea : 200.05 |
Relative PSA : 0.17001 |
PolarSurfaceArea : 39.19 |
Druglikeness : -0.20552 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
StereoCon : |