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MolName : 4-[5-[(Z)-[1-(3,5-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzenesulfonamide

MolecularFormula : C20H13N3O5Cl2S

Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/C(NN2c3cc(Cl)cc(Cl)c3)=O)\C2=O)o1)(=O)=O

InChI : InChI=1S/C20H13Cl2N3O5S/c21-12-7-13(22)9-14(8-12)25-20(27)17(19(26)24-25)10-15-3-6-18(30-15)11-1-4-16(5-2-11)31(23,28)29/h1-10H,(H,24,26)(H2,23,28,29)

InChIK : KXSABOUGLKKBOC-UHFFFAOYSA-N

TotalMolweight : 478.311

Molweight : 478.311

MonoisotopicMass : 476.995296

CLogP : 2.2585

CLogS : -5.721

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 318.88

Relative PSA : 0.31062

PolarSurfaceArea : 131.09

Druglikeness : 2.9741

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.54839

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 6

Amides : 1

StereoCon :