(E)-2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile
Molecular Formula : C13H13N2OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile is a drug-like molecule.
MolName : (E)-2-chloro-3-morpholin-4-yl-3-phenylprop-2-enenitrile |
MolecularFormula : C13H13N2OCl |
Smiles : N#C/C(/Cl)=C(/c1ccccc1)\N1CCOCC1 |
InChI : InChI=1S/C13H13ClN2O/c14-12(10-15)13(11-4-2-1-3-5-11)16-6-8-17-9-7-16/h1-5H,6-9H2 |
InChIK : BOCKPSHXJSJXQI-UHFFFAOYSA-N |
TotalMolweight : 248.712 |
Molweight : 248.712 |
MonoisotopicMass : 248.07164 |
CLogP : 1.9415 |
CLogS : -2.593 |
H Acceptors : 3 |
TotalSurfaceArea : 195.15 |
Relative PSA : 0.13892 |
PolarSurfaceArea : 36.26 |
Druglikeness : -2.7149 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52941 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : |