(E)-3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
Molecular Formula : C13H13NO2ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one |
MolecularFormula : C13H13NO2ClF |
Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CCOCC1 |
InChI : InChI=1S/C13H13ClFNO2/c14-11-2-1-3-12(15)10(11)4-5-13(17)16-6-8-18-9-7-16/h1-5H,6-9H2 |
InChIK : ZBPBCLAPYNVEDD-UHFFFAOYSA-N |
TotalMolweight : 269.702 |
Molweight : 269.702 |
MonoisotopicMass : 269.061884 |
CLogP : 2.3699 |
CLogS : -2.746 |
H Acceptors : 3 |
TotalSurfaceArea : 201.12 |
Relative PSA : 0.13221 |
PolarSurfaceArea : 29.54 |
Druglikeness : 0.30181 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61111 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |