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

Formula:C39H27N5O15S5 Mutagenic:low Tumorigenic:none Reproductive Effective:high (4Z)-3-oxo-4-[[4-[4-[[4-[(2Z)-2-(2-oxo-5,7-disulfonaphthalen-1-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-(2-oxo-5,7-disulfonaphthalen-1-ylidene)hydrazinyl]benzoyl]amino]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
MolecularFormulaC39H27N5O15S5
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(/c1c(C=C2)c(S(O)(=O)=O)cc(S(O)(=O)=O)c1)\C2=O)=O)(=O)=O
InChIInChI=1S/C39H27N5O15S5/c45-33-16-15-31-32(19-29(62(51,52)53)20-34(31)63(54,55)56)36(33)43-41-24-3-1-21(2-4-24)39(47)40-23-5-9-26(10-6-23)60-27-11-7-25(8-12-27)42-44-37-30-14-13-28(61(48,49)50)17-22(30)18-35(38(37)46)64(57,58)59/h1-20,41-42H,(H,40,47)(H,48
InChIKPUVYYSCHRIUERL-UHFFFAOYSA-N
TotalMolweight965.993
Molweight965.993
MonoisotopicMass965.01072
CLogP1.7936
CLogS-4.784
H Acceptors20
H Donors7
TotalSurfaceArea627.29
Relative PSA0.44753
PolarSurfaceArea388.32
Druglikeness4.8295
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms64
NonCHAtoms25
Electronegative Atoms25
Rotatable Bond12
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms9
Symmetricatoms10
Amides1
AcidicOxygens4
StereoCon

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


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