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(4Z)-3-oxo-4-[[4-[[4-[4-[(2Z)-2-(2-oxo-3,6-disulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]carbamoyl]phenyl]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-3,6-disulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(4Z)-3-oxo-4-[[4-[[4-[4-[(2Z)-2-(2-oxo-3,6-disulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
MolecularFormulaC39H27N5O15S5
SmilesOS(c(cc1)cc(C=C(C2=O)S(O)(=O)=O)c1/C2=N/Nc(cc1)ccc1C(Nc(cc1)ccc1Sc(cc1)ccc1N/N=C(/c(ccc(S(O)(=O)=O)c1)c1C=C1S(O)(=O)=O)\C1=O)=O)(=O)=O
InChIInChI=1S/C39H27N5O15S5/c45-37-33(63(54,55)56)19-22-17-29(61(48,49)50)13-15-31(22)35(37)43-41-25-3-1-21(2-4-25)39(47)40-24-5-9-27(10-6-24)60-28-11-7-26(8-12-28)42-44-36-32-16-14-30(62(51,52)53)18-23(32)20-34(38(36)46)64(57,58)59/h1-20,41-42H,(H,40,47)(H,48
InChIKUXYKLSWBHFBQII-UHFFFAOYSA-N
TotalMolweight965.993
Molweight965.993
MonoisotopicMass965.01072
CLogP1.9126
CLogS-5.692
H Acceptors20
H Donors7
TotalSurfaceArea625.5
Relative PSA0.44881
PolarSurfaceArea388.32
Druglikeness4.239
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.51563
Fragments1
Non HAtoms64
NonCHAtoms25
Electronegative Atoms25
Rotatable Bond12
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms9
Symmetricatoms10
Amides1
AcidicOxygens4
StereoCon

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