MolName : (Z)-3-(aziridin-1-yl)-1,3-diphenylprop-2-en-1-one |
MolecularFormula : C17H15NO |
Smiles : O=C(/C=C(/c1ccccc1)\N1CC1)c1ccccc1 |
InChI : InChI=1S/C17H15NO/c19-17(15-9-5-2-6-10-15)13-16(18-11-12-18)14-7-3-1-4-8-14/h1-10,13H,11-12H2 |
InChIK : XKMHMUQWANVWMS-UHFFFAOYSA-N |
TotalMolweight : 249.312 |
Molweight : 249.312 |
MonoisotopicMass : 249.115364 |
CLogP : 2.9259 |
CLogS : -3.149 |
H Acceptors : 2 |
TotalSurfaceArea : 197.8 |
Relative PSA : 0.073761 |
PolarSurfaceArea : 20.08 |
Druglikeness : 3.4844 |
Mutagenic : low |
Tumorigenic : low |
Reproductive Effective : high |
Irritant : high |
Nasty Functions : oxiran/aziridine |
Shape Index : 0.57895 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 5 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |