MolName : N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide |
MolecularFormula : C18H20N2O5S |
Smiles : O=C(/C=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1)N1CCOCC1 |
InChI : InChI=1S/C18H20N2O5S/c21-18(20-10-12-24-13-11-20)9-8-15-6-7-16(25-15)14-19-26(22,23)17-4-2-1-3-5-17/h1-9,19H,10-14H2 |
InChIK : JKBGMFAHDAGVTE-UHFFFAOYSA-N |
TotalMolweight : 376.432 |
Molweight : 376.432 |
MonoisotopicMass : 376.109293 |
CLogP : 1.4493 |
CLogS : -2.278 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 282.6 |
Relative PSA : 0.2857 |
PolarSurfaceArea : 97.23 |
Druglikeness : -3.4874 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65385 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 7 |
Symmetricatoms : 5 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |