MolName : (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one |
MolecularFormula : C18H18N3O3Cl |
Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2cccnc2Cl)OCC1 |
InChI : InChI=1S/C18H18ClN3O3/c19-18-16(5-3-9-21-18)25-13-15-12-22(10-11-24-15)17(23)7-6-14-4-1-2-8-20-14/h1-9,15H,10-13H2/t15-/m1/s1 |
InChIK : OSLQGXANIJAEQS-OAHLLOKOSA-N |
TotalMolweight : 359.812 |
Molweight : 359.812 |
MonoisotopicMass : 359.103669 |
CLogP : 1.7621 |
CLogS : -1.957 |
H Acceptors : 6 |
TotalSurfaceArea : 274.55 |
Relative PSA : 0.21319 |
PolarSurfaceArea : 64.55 |
Druglikeness : 3.0602 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
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 : 2 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |