(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
Molecular Formula : C19H17N2O3Cl2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one |
MolecularFormula : C19H17N2O3Cl2F |
Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc2)ncc2Cl)OCC1 |
InChI : InChI=1S/C19H17Cl2FN2O3/c20-13-4-6-18(23-10-13)27-12-14-11-24(8-9-26-14)19(25)7-5-15-16(21)2-1-3-17(15)22/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1 |
InChIK : VNLBGIPBCHWZHD-CQSZACIVSA-N |
TotalMolweight : 411.259 |
Molweight : 411.259 |
MonoisotopicMass : 410.060025 |
CLogP : 3.6698 |
CLogS : -4.54 |
H Acceptors : 5 |
TotalSurfaceArea : 297.56 |
Relative PSA : 0.15983 |
PolarSurfaceArea : 51.66 |
Druglikeness : 1.7202 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
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 |
1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(5-chloropyridin-2-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |