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4-[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(2Z)-2-[(5E)-5-[(4-nitrophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]benzenesulfonic acid

Formula:C30H23N11O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(2Z)-2-[(5E)-5-[(4-nitrophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]benzenesulfonic acid is not a drug-like molecule.
MolName4-[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(2Z)-2-[(5E)-5-[(4-nitrophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]benzenesulfonic acid
MolecularFormulaC30H23N11O10S2
SmilesNc(c(/N=N/c1cc(S(O)(=O)=O)ccc1)c1)cc(N)c1/N=N/c(cc1)cc(N/N=C(/C(C=C/C2=N\Nc(cc3)ccc3[N+]([O-])=O)=O)\C2=O)c1S(O)(=O)=O
InChIInChI=1S/C30H23N11O10S2/c31-21-14-22(32)25(15-24(21)37-34-17-2-1-3-20(12-17)52(46,47)48)38-35-18-6-11-28(53(49,50)51)26(13-18)39-40-29-27(42)10-9-23(30(29)43)36-33-16-4-7-19(8-5-16)41(44)45/h1-15,33,39H,31-32H2,(H,46,47,48)(H,49,50,51)
InChIKOXFZRHQLHJAGBF-UHFFFAOYSA-N
TotalMolweight761.712
Molweight761.712
MonoisotopicMass761.107079
CLogP3.1086
CLogS-5.756
H Acceptors21
H Donors6
TotalSurfaceArea526.51
Relative PSA0.49834
PolarSurfaceArea355.72
Druglikeness-18.841
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsaromatic nitro; 1,3-diamino-aryl; azo
Shape Index0.5283
Fragments1
Non HAtoms53
NonCHAtoms23
Electronegative Atoms23
Rotatable Bond11
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms4
Amines2
Aromatic Amines2
AcidicOxygens3
StereoCon

Request More Details | 4-[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-2-[(2Z)-2-[(5E)-5-[(4-nitrophenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]benzenesulfonic acid


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