MolName : (E)-N-methyl-N,2,3-triphenylprop-2-enamide |
MolecularFormula : C22H19NO |
Smiles : CN(C(/C(/c1ccccc1)=C/c1ccccc1)=O)c1ccccc1 |
InChI : InChI=1S/C22H19NO/c1-23(20-15-9-4-10-16-20)22(24)21(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-17H,1H3 |
InChIK : NGLPFRLFQQXMCL-UHFFFAOYSA-N |
TotalMolweight : 313.399 |
Molweight : 313.399 |
MonoisotopicMass : 313.146664 |
CLogP : 4.7225 |
CLogS : -4.431 |
H Acceptors : 2 |
TotalSurfaceArea : 257.8 |
Relative PSA : 0.064352 |
PolarSurfaceArea : 20.31 |
Druglikeness : 3.5888 |
Mutagenic : none |
Tumorigenic : low |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |