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MolName : 4-[5-[(Z)-[[2-oxo-2-[(2Z)-2-[[5-(4-sulfophenyl)furan-2-yl]methylidene]hydrazinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzenesulfonic acid

MolecularFormula : C24H18N4O10S2

Smiles : OS(c(cc1)ccc1-c1ccc(/C=N\NC(C(N/N=C\c2ccc(-c(cc3)ccc3S(O)(=O)=O)o2)=O)=O)o1)(=O)=O

InChI : InChI=1S/C24H18N4O10S2/c29-23(27-25-13-17-5-11-21(37-17)15-1-7-19(8-2-15)39(31,32)33)24(30)28-26-14-18-6-12-22(38-18)16-3-9-20(10-4-16)40(34,35)36/h1-14H,(H,27,29)(H,28,30)(H,31,32,33)(H,34,35,36)

InChIK : UPAXRXFTHDYXKN-UHFFFAOYSA-N

TotalMolweight : 586.557

Molweight : 586.557

MonoisotopicMass : 586.046436

CLogP : -0.0424

CLogS : -4.25

H Acceptors : 14

H Donors : 4

TotalSurfaceArea : 409.72

Relative PSA : 0.44811

PolarSurfaceArea : 234.7

Druglikeness : 4.4369

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.65

Fragments : 1

Non HAtoms : 40

NonCHAtoms : 16

Electronegative Atoms : 16

Rotatable Bond : 9

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 4

Symmetricatoms : 23

AcidicOxygens : 2

StereoCon :