MolName : (E)-1-morpholin-4-yl-3-(5-nitrothiophen-2-yl)prop-2-en-1-one |
MolecularFormula : C11H12N2O4S |
Smiles : [O-][N+](c1ccc(/C=C/C(N2CCOCC2)=O)s1)=O |
InChI : InChI=1S/C11H12N2O4S/c14-10(12-5-7-17-8-6-12)3-1-9-2-4-11(18-9)13(15)16/h1-4H,5-8H2 |
InChIK : DHRCCQNFGZPBGJ-UHFFFAOYSA-N |
TotalMolweight : 268.292 |
Molweight : 268.292 |
MonoisotopicMass : 268.051778 |
CLogP : 0.7977 |
CLogS : -2.316 |
H Acceptors : 6 |
TotalSurfaceArea : 198.96 |
Relative PSA : 0.38887 |
PolarSurfaceArea : 103.6 |
Druglikeness : -2.2643 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |