MolName : (6Z)-7-phenyl-3,4-dihydro-2H-1,5,6-benzodioxazonine |
MolecularFormula : C16H15NO2 |
Smiles : C1CO/N=C(/c2ccccc2)\c(cccc2)c2OC1 |
InChI : InChI=1S/C16H15NO2/c1-2-7-13(8-3-1)16-14-9-4-5-10-15(14)18-11-6-12-19-17-16/h1-5,7-10H,6,11-12H2 |
InChIK : YZAIAVVKBFPSGW-UHFFFAOYSA-N |
TotalMolweight : 253.3 |
Molweight : 253.3 |
MonoisotopicMass : 253.110279 |
CLogP : 3.8341 |
CLogS : -4.529 |
H Acceptors : 3 |
TotalSurfaceArea : 203.77 |
Relative PSA : 0.15464 |
PolarSurfaceArea : 30.82 |
Druglikeness : 0.38009 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.47368 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |