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(3Z)-3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid

Formula:C32H25N9O7S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (3Z)-3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid is not a drug-like molecule.
MolName(3Z)-3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
MolecularFormulaC32H25N9O7S2
SmilesNc(cc1)cc(N)c1/N=N/c(cc1)cc(C(/C2=N/Nc(cc3)ccc3/N=N/c(c3cc(S(O)(=O)=O)ccc33)ccc3N)=O)c1C=C2S(O)(=O)=O
InChIInChI=1S/C32H25N9O7S2/c33-18-2-11-29(27(35)14-18)40-38-21-3-1-17-13-30(50(46,47)48)31(32(42)24(17)15-21)41-37-20-6-4-19(5-7-20)36-39-28-12-10-26(34)23-9-8-22(16-25(23)28)49(43,44)45/h1-16,37H,33-35H2,(H,43,44,45)(H,46,47,48)
InChIKYGEBKOZJUXEBBK-UHFFFAOYSA-N
TotalMolweight711.739
Molweight711.739
MonoisotopicMass711.131836
CLogP3.8687
CLogS-8.823
H Acceptors16
H Donors6
TotalSurfaceArea491.99
Relative PSA0.42932
PolarSurfaceArea294.46
Druglikeness-14.829
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions1,3-diamino-aryl; azo
Shape Index0.52
Fragments1
Non HAtoms50
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms4
Symmetricatoms4
Amines3
Aromatic Amines3
AcidicOxygens2
StereoCon

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