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C18H19N2O5S2 7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one | Chemryt

7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Molecular Formula : C18H19N2O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 7-hydroxy-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

MolecularFormula : C18H19N2O5S2

Smiles : Oc(cc1)cc(O2)c1C(C[NH+](CC1)CCN1S(c1cccs1)(=O)=O)=CC2=O

InChI : InChI=1S/C18H18N2O5S2/c21-14-3-4-15-13(10-17(22)25-16(15)11-14)12-19-5-7-20(8-6-19)27(23,24)18-2-1-9-26-18/h1-4,9-11,21H,5-8,12H2/p+1

InChIK : SVDPHFVJEWLSTJ-UHFFFAOYSA-O

TotalMolweight : 407.49

Molweight : 407.49

MonoisotopicMass : 407.073538

CLogP : -0.6498

CLogS : -1.36

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 292.79

Relative PSA : 0.36279

PolarSurfaceArea : 124.97

Druglikeness : -3.2463

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 9

Symmetricatoms : 3

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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