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(6Z)-4-amino-5-oxo-3-[[4-[[4-[(2Z)-2-(4-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid

Formula:C39H28N8O12S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-5-oxo-3-[[4-[[4-[(2Z)-2-(4-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(6Z)-4-amino-5-oxo-3-[[4-[[4-[(2Z)-2-(4-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
MolecularFormulaC39H28N8O12S3
SmilesNc(c(C(/C1=N/Nc2ccccc2)=O)c(cc2S(O)(=O)=O)C=C1S(O)(=O)=O)c2/N=N/c(cc1)ccc1C(Nc(cc1)ccc1N/N=C(/C=CC(c1ccc2)=O)\c1c2S(O)(=O)=O)=O
InChIInChI=1S/C39H28N8O12S3/c40-35-33-22(20-32(62(57,58)59)37(38(33)49)47-43-24-5-2-1-3-6-24)19-31(61(54,55)56)36(35)46-44-25-11-9-21(10-12-25)39(50)41-23-13-15-26(16-14-23)42-45-28-17-18-29(48)27-7-4-8-30(34(27)28)60(51,52)53/h1-20,42-43H,40H2,(H,41,50)(H,51,
InChIKDZDYYWROAFAROW-UHFFFAOYSA-N
TotalMolweight896.893
Molweight896.893
MonoisotopicMass896.098882
CLogP3.7727
CLogS-7.126
H Acceptors20
H Donors7
TotalSurfaceArea606.41
Relative PSA0.42851
PolarSurfaceArea351.01
Druglikeness-6.5509
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.48387
Fragments1
Non HAtoms62
NonCHAtoms23
Electronegative Atoms23
Rotatable Bond11
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms7
Symmetricatoms9
Amides1
Amines1
Aromatic Amines1
AcidicOxygens3
StereoCon

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