2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile
Molecular Formula : C16H16N4O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile is a drug-like molecule.
MolName : 2-[(Z)-2-morpholin-4-yl-3-phenylprop-1-enyl]iminopropanedinitrile |
MolecularFormula : C16H16N4O |
Smiles : N#CC(C#N)=N/C=C(/Cc1ccccc1)\N1CCOCC1 |
InChI : InChI=1S/C16H16N4O/c17-11-15(12-18)19-13-16(20-6-8-21-9-7-20)10-14-4-2-1-3-5-14/h1-5,13H,6-10H2 |
InChIK : HVOLPFNWGRGRPT-UHFFFAOYSA-N |
TotalMolweight : 280.33 |
Molweight : 280.33 |
MonoisotopicMass : 280.132411 |
CLogP : 1.0749 |
CLogS : -2.815 |
H Acceptors : 5 |
TotalSurfaceArea : 239.96 |
Relative PSA : 0.21745 |
PolarSurfaceArea : 72.41 |
Druglikeness : -4.4868 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : 1,1-dinitrile |
Shape Index : 0.52381 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
BasicNitrogens : 2 |
StereoCon : |