(3E)-3-[(2-nitrothiophen-3-yl)methylidene]oxolan-2-one
Molecular Formula : C9H7NO4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[(2-nitrothiophen-3-yl)methylidene]oxolan-2-one is a drug-like molecule.
MolName : (3E)-3-[(2-nitrothiophen-3-yl)methylidene]oxolan-2-one |
MolecularFormula : C9H7NO4S |
Smiles : [O-][N+](c1c(/C=C(\CCO2)/C2=O)ccs1)=O |
InChI : InChI=1S/C9H7NO4S/c11-9-7(1-3-14-9)5-6-2-4-15-8(6)10(12)13/h2,4-5H,1,3H2 |
InChIK : OGFNQUODCRYAII-UHFFFAOYSA-N |
TotalMolweight : 225.224 |
Molweight : 225.224 |
MonoisotopicMass : 225.009579 |
CLogP : 0.7794 |
CLogS : -2.877 |
H Acceptors : 5 |
TotalSurfaceArea : 159.35 |
Relative PSA : 0.46326 |
PolarSurfaceArea : 100.36 |
Druglikeness : -4.1859 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.53333 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 4 |
AcidicOxygens : 1 |
StereoCon : |