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5-nitro-2-[[(3Z,5E)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexen-1-yl]diazenyl]benzenesulfonic acid

Formula:C24H16N8O12S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-nitro-2-[[(3Z,5E)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexen-1-yl]diazenyl]benzenesulfonic acid is not a drug-like molecule.
MolName5-nitro-2-[[(3Z,5E)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexen-1-yl]diazenyl]benzenesulfonic acid
MolecularFormulaC24H16N8O12S2
Smiles[O-][N+](c(cc1)ccc1N/N=C(/C(/C(/C=C1/N=N/c(ccc([N+]([O-])=O)c2)c2S(O)(=O)=O)=N\Nc(cc2)ccc2S(O)(=O)=O)=O)\C1=O)=O
InChIInChI=1S/C24H16N8O12S2/c33-23-19(28-25-14-3-8-17(9-4-14)45(39,40)41)12-20(24(34)22(23)30-26-13-1-5-15(6-2-13)31(35)36)29-27-18-10-7-16(32(37)38)11-21(18)46(42,43)44/h1-12,25-26H,(H,39,40,41)(H,42,43,44)
InChIKJDRCEDCYPFHGEO-UHFFFAOYSA-N
TotalMolweight672.567
Molweight672.567
MonoisotopicMass672.032912
CLogP0.7998
CLogS-3.131
H Acceptors20
H Donors4
TotalSurfaceArea448.57
Relative PSA0.53334
PolarSurfaceArea324.78
Druglikeness-14.326
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; azo
Shape Index0.41304
Fragments1
Non HAtoms46
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms6
Symmetricatoms6
AcidicOxygens4
StereoCon

Request More Details | 5-nitro-2-[[(3Z,5E)-5-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-3-[(4-sulfophenyl)hydrazinylidene]cyclohexen-1-yl]diazenyl]benzenesulfonic acid


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