MolName : (E)-4-[2-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid |
MolecularFormula : C15H16N2O5 |
Smiles : OC(/C=C/C(Nc(cccc1)c1C(N1CCOCC1)=O)=O)=O |
InChI : InChI=1S/C15H16N2O5/c18-13(5-6-14(19)20)16-12-4-2-1-3-11(12)15(21)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,18)(H,19,20) |
InChIK : KSSVCKCLSNBZLR-UHFFFAOYSA-N |
TotalMolweight : 304.301 |
Molweight : 304.301 |
MonoisotopicMass : 304.105923 |
CLogP : 0.4179 |
CLogS : -1.455 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 232.66 |
Relative PSA : 0.33194 |
PolarSurfaceArea : 95.94 |
Druglikeness : 3.0849 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |