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4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid

Formula:C34H26N6O12S4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid is not a drug-like molecule.
MolName4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid
MolecularFormulaC34H26N6O12S4
SmilesNc(c1ccccc1c(S(O)(=O)=O)c1)c1/N=N/c1cc(S(O)(=O)=O)c(/C=C/c(ccc(/N=N/c(cc(c2ccccc22)S(O)(=O)=O)c2N)c2)c2S(O)(=O)=O)cc1
InChIInChI=1S/C34H26N6O12S4/c35-33-25-7-3-1-5-23(25)31(55(47,48)49)17-27(33)39-37-21-13-11-19(29(15-21)53(41,42)43)9-10-20-12-14-22(16-30(20)54(44,45)46)38-40-28-18-32(56(50,51)52)24-6-2-4-8-26(24)34(28)36/h1-18H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,
InChIKNPTGKTNWDPXTEG-UHFFFAOYSA-N
TotalMolweight838.874
Molweight838.874
MonoisotopicMass838.049154
CLogP0.388
CLogS-6.524
H Acceptors18
H Donors6
TotalSurfaceArea551.04
Relative PSA0.44153
PolarSurfaceArea352.48
Druglikeness-7.4009
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.46429
Fragments1
Non HAtoms56
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms32
Sp3Atoms10
Symmetricatoms30
Amines2
Aromatic Amines2
AcidicOxygens4
StereoCon

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