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C14H15NO6S | Cheminformatics

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

Molecular Formula : C14H15NO6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |

MolName : (2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

MolecularFormula : C14H15NO6S

Smiles : O=C(CNS(/C=C/c1ccccc1)(=O)=O)OC(CCO1)C1=O

InChI : InChI=1S/C14H15NO6S/c16-13(21-12-6-8-20-14(12)17)10-15-22(18,19)9-7-11-4-2-1-3-5-11/h1-5,7,9,12,15H,6,8,10H2/t12-/m0/s1

InChIK : NNAIANGKKQSNFB-LBPRGKRZSA-N

TotalMolweight : 325.34

Molweight : 325.34

MonoisotopicMass : 325.062009

CLogP : 0.3523

CLogS : -2.899

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 235.58

Relative PSA : 0.36557

PolarSurfaceArea : 107.15

Druglikeness : -0.022227

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 3

Amides : 1

StereoCon : racemate

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