MolName : (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
MolecularFormula : C19H18N2O3F2 |
Smiles : O=C(/C=C/c1ncccc1)N1CC(COc(cc(cc2)F)c2F)OCC1 |
InChI : InChI=1S/C19H18F2N2O3/c20-14-4-6-17(21)18(11-14)26-13-16-12-23(9-10-25-16)19(24)7-5-15-3-1-2-8-22-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
InChIK : CNPZSENMEKNIAR-MRXNPFEDSA-N |
TotalMolweight : 360.359 |
Molweight : 360.359 |
MonoisotopicMass : 360.128549 |
CLogP : 2.2612 |
CLogS : -2.881 |
H Acceptors : 5 |
TotalSurfaceArea : 273.07 |
Relative PSA : 0.17417 |
PolarSurfaceArea : 51.66 |
Druglikeness : 1.6683 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61538 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |