(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one
Molecular Formula : C19H18N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one |
MolecularFormula : C19H18N2O4 |
Smiles : [O-][N+](c(cc1)ccc1C(/C=C(\c1ccccc1)/N1CCOCC1)=O)=O |
InChI : InChI=1S/C19H18N2O4/c22-19(16-6-8-17(9-7-16)21(23)24)14-18(15-4-2-1-3-5-15)20-10-12-25-13-11-20/h1-9,14H,10-13H2 |
InChIK : GHVSMYVWOHVILP-UHFFFAOYSA-N |
TotalMolweight : 338.362 |
Molweight : 338.362 |
MonoisotopicMass : 338.126658 |
CLogP : 1.8663 |
CLogS : -3.53 |
H Acceptors : 6 |
TotalSurfaceArea : 260.99 |
Relative PSA : 0.21844 |
PolarSurfaceArea : 75.36 |
Druglikeness : -2.3902 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.52 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
AcidicOxygens : 1 |
StereoCon : |