MolName : N-[(Z)-1-(4-hydroxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C20H20N2O4 |
Smiles : Oc1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c2ccccc2)=O)cc1 |
InChI : InChI=1S/C20H20N2O4/c23-17-8-6-15(7-9-17)14-18(20(25)22-10-12-26-13-11-22)21-19(24)16-4-2-1-3-5-16/h1-9,14,23H,10-13H2,(H,21,24) |
InChIK : GZCVWFANHLOMNU-UHFFFAOYSA-N |
TotalMolweight : 352.389 |
Molweight : 352.389 |
MonoisotopicMass : 352.142308 |
CLogP : 2.6049 |
CLogS : -2.775 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 272.88 |
Relative PSA : 0.23523 |
PolarSurfaceArea : 78.87 |
Druglikeness : 4.8526 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |