2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide
Molecular Formula : C13H14N2O3 | Mutagenic : high | Tumorigenic : low | Reproductive Effective : none |2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide is a drug-like molecule.
MolName : 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide |
MolecularFormula : C13H14N2O3 |
Smiles : NC(CNc1ccc(/C=C(\CCO2)/C2=O)cc1)=O |
InChI : InChI=1S/C13H14N2O3/c14-12(16)8-15-11-3-1-9(2-4-11)7-10-5-6-18-13(10)17/h1-4,7,15H,5-6,8H2,(H2,14,16) |
InChIK : PFUDQOOBPPLLJY-UHFFFAOYSA-N |
TotalMolweight : 246.265 |
Molweight : 246.265 |
MonoisotopicMass : 246.100443 |
CLogP : 0.1062 |
CLogS : -2.278 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 191.23 |
Relative PSA : 0.32845 |
PolarSurfaceArea : 81.42 |
Druglikeness : 3.0606 |
Mutagenic : high |
Tumorigenic : low |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amides : 1 |
Amines : 1 |
Aromatic Amines : 1 |
StereoCon : |