(2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Molecular Formula : C19H17NO6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is a drug-like molecule.
MolName : (2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate |
MolecularFormula : C19H17NO6S |
Smiles : O=C(c1cccc(NS(/C=C/c2ccccc2)(=O)=O)c1)OC(CCO1)C1=O |
InChI : InChI=1S/C19H17NO6S/c21-18(26-17-9-11-25-19(17)22)15-7-4-8-16(13-15)20-27(23,24)12-10-14-5-2-1-3-6-14/h1-8,10,12-13,17,20H,9,11H2/t17-/m0/s1 |
InChIK : FDDLSKQIZIJKKW-KRWDZBQOSA-N |
TotalMolweight : 387.411 |
Molweight : 387.411 |
MonoisotopicMass : 387.077659 |
CLogP : 1.8811 |
CLogS : -4.917 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 281.58 |
Relative PSA : 0.30585 |
PolarSurfaceArea : 107.15 |
Druglikeness : 0.023411 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59259 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
StereoCenters : 1 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : racemate |