MolName : N-[(Z)-1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C20H19N2O3Cl |
Smiles : O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)N1CCOCC1 |
InChI : InChI=1S/C20H19ClN2O3/c21-17-8-6-15(7-9-17)14-18(20(25)23-10-12-26-13-11-23)22-19(24)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,24) |
InChIK : JCHNAUNKXHNMLT-UHFFFAOYSA-N |
TotalMolweight : 370.835 |
Molweight : 370.835 |
MonoisotopicMass : 370.10842 |
CLogP : 3.5566 |
CLogS : -3.807 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 281.95 |
Relative PSA : 0.1812 |
PolarSurfaceArea : 58.64 |
Druglikeness : 4.8888 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
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 : 5 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |