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

Formula:C39H27N5O12S4 Mutagenic:low Tumorigenic:none Reproductive Effective:high (4Z)-3-oxo-4-[[4-[4-[[4-[(2Z)-2-(1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]benzoyl]amino]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(4Z)-3-oxo-4-[[4-[4-[[4-[(2Z)-2-(1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]benzoyl]amino]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
MolecularFormulaC39H27N5O12S4
SmilesOS(c(cc1)cc(C=C(C2=O)S(O)(=O)=O)c1/C2=N/Nc(cc1)ccc1Sc(cc1)ccc1NC(c(cc1)ccc1N/N=C(/C=Cc1c2cccc1S(O)(=O)=O)\C2=O)=O)(=O)=O
InChIInChI=1S/C39H27N5O12S4/c45-37-32-2-1-3-34(59(51,52)53)31(32)18-19-33(37)43-41-25-6-4-22(5-7-25)39(47)40-24-8-12-27(13-9-24)57-28-14-10-26(11-15-28)42-44-36-30-17-16-29(58(48,49)50)20-23(30)21-35(38(36)46)60(54,55)56/h1-21,41-42H,(H,40,47)(H,48,49,50)(H,51
InChIKZYBYTQVXPPPJRD-UHFFFAOYSA-N
TotalMolweight885.93
Molweight885.93
MonoisotopicMass885.053905
CLogP4.0229
CLogS-6.178
H Acceptors17
H Donors6
TotalSurfaceArea592.36
Relative PSA0.40356
PolarSurfaceArea325.57
Druglikeness4.3191
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.55
Fragments1
Non HAtoms60
NonCHAtoms21
Electronegative Atoms21
Rotatable Bond11
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms7
Symmetricatoms9
Amides1
AcidicOxygens3
StereoCon

Request More Details | (4Z)-3-oxo-4-[[4-[4-[[4-[(2Z)-2-(1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]benzoyl]amino]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid


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