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MolName : N-(2-chlorophenyl)-2-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-5-nitrobenzenesulfonamide

MolecularFormula : C21H17N4O6ClS

Smiles : [O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C\c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C21H17ClN4O6S/c22-16-3-1-2-4-17(16)25-33(29,30)21-12-15(26(27)28)6-7-18(21)24-23-13-14-5-8-19-20(11-14)32-10-9-31-19/h1-8,11-13,24-25H,9-10H2

InChIK : CKKKHKCUGSTHTG-UHFFFAOYSA-N

TotalMolweight : 488.907

Molweight : 488.907

MonoisotopicMass : 488.055733

CLogP : 4.8032

CLogS : -5.86

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 342.15

Relative PSA : 0.33152

PolarSurfaceArea : 143.22

Druglikeness : -9.5797

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.51515

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 1

Amides : 1

AcidicOxygens : 1

StereoCon :