(Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile
Molecular Formula : C21H19N2O3Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile is a drug-like molecule.
MolName : (Z)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-phenylprop-2-enenitrile |
MolecularFormula : C21H19N2O3Br |
Smiles : N#C/C(/c1ccccc1)=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O |
InChI : InChI=1S/C21H19BrN2O3/c22-19-13-16(12-18(14-23)17-4-2-1-3-5-17)6-7-20(19)27-15-21(25)24-8-10-26-11-9-24/h1-7,12-13H,8-11,15H2 |
InChIK : HIGZUOJPQKZCGM-UHFFFAOYSA-N |
TotalMolweight : 427.297 |
Molweight : 427.297 |
MonoisotopicMass : 426.057904 |
CLogP : 3.307 |
CLogS : -3.953 |
H Acceptors : 5 |
TotalSurfaceArea : 301.42 |
Relative PSA : 0.16638 |
PolarSurfaceArea : 62.56 |
Druglikeness : -2.7892 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 1 |
StereoCon : |