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4-amino-3-[[4-[(E)-2-[4-[(1-amino-4,8-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,5-disulfonic acid

Formula:C34H26N6O18S6 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-amino-3-[[4-[(E)-2-[4-[(1-amino-4,8-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,5-disulfonic acid is not a drug-like molecule.
MolName4-amino-3-[[4-[(E)-2-[4-[(1-amino-4,8-disulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,5-disulfonic acid
MolecularFormulaC34H26N6O18S6
SmilesNc(c(c(c(S(O)(=O)=O)c1)ccc2)c2S(O)(=O)=O)c1/N=N/c1cc(S(O)(=O)=O)c(/C=C/c(ccc(/N=N/c(cc(c2cccc(S(O)(=O)=O)c22)S(O)(=O)=O)c2N)c2)c2S(O)(=O)=O)cc1
InChIInChI=1S/C34H26N6O18S6/c35-33-23(15-29(63(53,54)55)21-3-1-5-25(31(21)33)59(41,42)43)39-37-19-11-9-17(27(13-19)61(47,48)49)7-8-18-10-12-20(14-28(18)62(50,51)52)38-40-24-16-30(64(56,57)58)22-4-2-6-26(60(44,45)46)32(22)34(24)36/h1-16H,35-36H2,(H,41,42,43)(H,
InChIKUNPBGXIMGRMBHF-UHFFFAOYSA-N
TotalMolweight999
Molweight999
MonoisotopicMass997.962784
CLogP-4.0706
CLogS-3.736
H Acceptors24
H Donors8
TotalSurfaceArea620.9
Relative PSA0.52611
PolarSurfaceArea477.98
Druglikeness-7.3665
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.40625
Fragments1
Non HAtoms64
NonCHAtoms30
Electronegative Atoms30
Rotatable Bond12
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms32
Sp3Atoms14
Symmetricatoms35
Amines2
Aromatic Amines2
AcidicOxygens6
StereoCon

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