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C15H13N2O4BrS | Cheminformatics
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4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide

Molecular Formula : C15H13N2O4BrS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide is a drug-like molecule.

MolName : 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide

MolecularFormula : C15H13N2O4BrS

Smiles : O=S(c(cc1)ccc1Br)(N/N=C\c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C15H13BrN2O4S/c16-12-2-4-13(5-3-12)23(19,20)18-17-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,18H,7-8H2

InChIK : HDVRMTLZVIVPIM-UHFFFAOYSA-N

TotalMolweight : 397.248

Molweight : 397.248

MonoisotopicMass : 395.977939

CLogP : 2.9811

CLogS : -2.932

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 250.47

Relative PSA : 0.28566

PolarSurfaceArea : 85.37

Druglikeness : -6.1114

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65217

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 3

StereoCon :

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1 - 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
2 - 4-bromo-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzenesulfonamide
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