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C19H17NO6S | Cheminformatics

(2-oxooxolan-3-yl) 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Molecular Formula : C19H17NO6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

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