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(6Z)-4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[4-[(2,4-diaminophenyl)diazenyl]anilino]-3-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid

Formula:C34H29N11O10S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[4-[(2,4-diaminophenyl)diazenyl]anilino]-3-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(6Z)-4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[4-[(2,4-diaminophenyl)diazenyl]anilino]-3-sulfophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC34H29N11O10S3
SmilesNc(cc1)ccc1/N=N/c(c(S(O)(=O)=O)cc(C=C(/C1=N\Nc(cc2)cc(S(O)(=O)=O)c2Nc(cc2)ccc2/N=N/c(ccc(N)c2)c2N)S(O)(=O)=O)c2C1=O)c2N
InChIInChI=1S/C34H29N11O10S3/c35-18-1-4-21(5-2-18)41-44-32-28(57(50,51)52)13-17-14-29(58(53,54)55)33(34(46)30(17)31(32)38)45-42-23-10-12-26(27(16-23)56(47,48)49)39-20-6-8-22(9-7-20)40-43-25-11-3-19(36)15-24(25)37/h1-16,39,42H,35-38H2,(H,47,48,49)(H,50,51,52)(H
InChIKZHOUQQRZGWWSRV-UHFFFAOYSA-N
TotalMolweight847.869
Molweight847.869
MonoisotopicMass847.126099
CLogP1.2981
CLogS-7.477
H Acceptors21
H Donors9
TotalSurfaceArea572.06
Relative PSA0.48881
PolarSurfaceArea395.26
Druglikeness-17.729
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions1,3-diamino-aryl; azo
Shape Index0.51724
Fragments1
Non HAtoms58
NonCHAtoms24
Electronegative Atoms24
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms7
Symmetricatoms7
Amines5
Aromatic Amines5
AcidicOxygens3
StereoCon

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