N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Molecular Formula : C22H22N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.
MolName : N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
MolecularFormula : C22H22N2O3 |
Smiles : O=C(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)N1CCOCC1 |
InChI : InChI=1S/C22H22N2O3/c25-21(19-11-5-2-6-12-19)23-20(22(26)24-14-16-27-17-15-24)13-7-10-18-8-3-1-4-9-18/h1-13H,14-17H2,(H,23,25) |
InChIK : UUIGXPLOPDTINR-UHFFFAOYSA-N |
TotalMolweight : 362.428 |
Molweight : 362.428 |
MonoisotopicMass : 362.163043 |
CLogP : 3.6072 |
CLogS : -3.383 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 293.03 |
Relative PSA : 0.17435 |
PolarSurfaceArea : 58.64 |
Druglikeness : 4.9871 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.51852 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |