(E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one
Molecular Formula : C20H18NO3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-fluorophenyl)-3-[4-(morpholine-4-carbonyl)phenyl]prop-2-en-1-one |
MolecularFormula : C20H18NO3F |
Smiles : O=C(/C=C/c(cc1)ccc1C(N1CCOCC1)=O)c(cc1)ccc1F |
InChI : InChI=1S/C20H18FNO3/c21-18-8-6-16(7-9-18)19(23)10-3-15-1-4-17(5-2-15)20(24)22-11-13-25-14-12-22/h1-10H,11-14H2 |
InChIK : WPTVYLJSFUQEDK-UHFFFAOYSA-N |
TotalMolweight : 339.365 |
Molweight : 339.365 |
MonoisotopicMass : 339.127072 |
CLogP : 3.0789 |
CLogS : -3.864 |
H Acceptors : 4 |
TotalSurfaceArea : 263.21 |
Relative PSA : 0.15056 |
PolarSurfaceArea : 46.61 |
Druglikeness : 2.3123 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 6 |
Amides : 1 |
StereoCon : |