(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
Molecular Formula : C19H14N2O3ClF5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one |
MolecularFormula : C19H14N2O3ClF5 |
Smiles : O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc(cc2)ncc2Cl)OCC1 |
InChI : InChI=1S/C19H14ClF5N2O3/c20-10-1-3-13(26-7-10)30-9-11-8-27(5-6-29-11)14(28)4-2-12-15(21)17(23)19(25)18(24)16(12)22/h1-4,7,11H,5-6,8-9H2/t11-/m1/s1 |
InChIK : OAOUCBMUUIPYLZ-LLVKDONJSA-N |
TotalMolweight : 448.774 |
Molweight : 448.774 |
MonoisotopicMass : 448.06131 |
CLogP : 3.467 |
CLogS : -5.06 |
H Acceptors : 5 |
TotalSurfaceArea : 307.54 |
Relative PSA : 0.15465 |
PolarSurfaceArea : 51.66 |
Druglikeness : 1.7202 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : polyhalo aromatic ring |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : racemate |
1 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
2 - (E)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |