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

Formula:C24H18N4O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[[2-oxo-2-[(2Z)-2-[[5-(4-sulfophenyl)furan-2-yl]methylidene]hydrazinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzenesulfonic acid is not a drug-like molecule.
MolName4-[5-[(Z)-[[2-oxo-2-[(2Z)-2-[[5-(4-sulfophenyl)furan-2-yl]methylidene]hydrazinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzenesulfonic acid
MolecularFormulaC24H18N4O10S2
SmilesOS(c(cc1)ccc1-c1ccc(/C=N\NC(C(N/N=C\c2ccc(-c(cc3)ccc3S(O)(=O)=O)o2)=O)=O)o1)(=O)=O
InChIInChI=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)
InChIKUPAXRXFTHDYXKN-UHFFFAOYSA-N
TotalMolweight586.557
Molweight586.557
MonoisotopicMass586.046436
CLogP-0.0424
CLogS-4.25
H Acceptors14
H Donors4
TotalSurfaceArea409.72
Relative PSA0.44811
PolarSurfaceArea234.7
Druglikeness4.4369
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.65
Fragments1
Non HAtoms40
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
Symmetricatoms23
AcidicOxygens2
StereoCon

Request More Details | 4-[5-[(Z)-[[2-oxo-2-[(2Z)-2-[[5-(4-sulfophenyl)furan-2-yl]methylidene]hydrazinyl]acetyl]hydrazinylidene]methyl]furan-2-yl]benzenesulfonic acid


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