(E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile
Molecular Formula : C12H12N2O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
MolName : (E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile |
MolecularFormula : C12H12N2O2S |
Smiles : N#C/C(/C(N1CCOCC1)=O)=C\c1cccs1 |
InChI : InChI=1S/C12H12N2O2S/c13-9-10(8-11-2-1-7-17-11)12(15)14-3-5-16-6-4-14/h1-2,7-8H,3-6H2 |
InChIK : FGMNJMXCMGUISE-UHFFFAOYSA-N |
TotalMolweight : 248.305 |
Molweight : 248.305 |
MonoisotopicMass : 248.061948 |
CLogP : 1.3817 |
CLogS : -1.978 |
H Acceptors : 4 |
TotalSurfaceArea : 195.21 |
Relative PSA : 0.30997 |
PolarSurfaceArea : 81.57 |
Druglikeness : 0.76718 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB |
Shape Index : 0.58824 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |