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(3Z)-5-amino-3-[[4-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid

Formula:C32H24N8O11S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (3Z)-5-amino-3-[[4-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-5-amino-3-[[4-[[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC32H24N8O11S3
SmilesNc(cc1)cc(C(/C2=N/Nc(cc3)ccc3/N=N/c(cc3)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4c(N)cc(S(O)(=O)=O)c3)/C4=O)=O)c1C=C2S(O)(=O)=O
InChIInChI=1S/C32H24N8O11S3/c33-18-2-1-16-12-26(53(46,47)48)29(31(41)24(16)14-18)39-37-21-7-3-19(4-8-21)35-36-20-5-9-22(10-6-20)38-40-30-27(54(49,50)51)13-17-11-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,37-38H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)
InChIKVSMGQTFRZSVIIU-UHFFFAOYSA-N
TotalMolweight792.786
Molweight792.786
MonoisotopicMass792.072667
CLogP2.0209
CLogS-6.432
H Acceptors19
H Donors7
TotalSurfaceArea524.17
Relative PSA0.47813
PolarSurfaceArea347.93
Druglikeness-18.318
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.51852
Fragments1
Non HAtoms54
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms7
Amines2
Aromatic Amines2
AcidicOxygens3
StereoCon

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