MolName : (E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one |
MolecularFormula : C15H16N2O2 |
Smiles : O=C(/C=C/c1c[nH]c2c1cccc2)N1CCOCC1 |
InChI : InChI=1S/C15H16N2O2/c18-15(17-7-9-19-10-8-17)6-5-12-11-16-14-4-2-1-3-13(12)14/h1-6,11,16H,7-10H2 |
InChIK : PTQOVMYCCILAIZ-UHFFFAOYSA-N |
TotalMolweight : 256.304 |
Molweight : 256.304 |
MonoisotopicMass : 256.121178 |
CLogP : 1.7025 |
CLogS : -2.221 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 203.52 |
Relative PSA : 0.19939 |
PolarSurfaceArea : 45.33 |
Druglikeness : 1.9944 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |