MolName : (NE)-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide |
MolecularFormula : C17H18N2O3S |
Smiles : O=S(c1ccccc1)(/N=C(\c1ccccc1)/N1CCOCC1)=O |
InChI : InChI=1S/C17H18N2O3S/c20-23(21,16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)19-11-13-22-14-12-19/h1-10H,11-14H2 |
InChIK : CCUWHLGKFFJENY-UHFFFAOYSA-N |
TotalMolweight : 330.407 |
Molweight : 330.407 |
MonoisotopicMass : 330.103813 |
CLogP : 2.5365 |
CLogS : -2.418 |
H Acceptors : 5 |
TotalSurfaceArea : 246.41 |
Relative PSA : 0.21769 |
PolarSurfaceArea : 67.35 |
Druglikeness : -4.58 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.47826 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 7 |
BasicNitrogens : 1 |
StereoCon : |