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(4Z)-4-[[4-[4-[(2Z)-2-(3-carboxy-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2-sulfophenyl]-3-sulfophenyl]hydrazinylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid

Formula:C32H22N8O12S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (4Z)-4-[[4-[4-[(2Z)-2-(3-carboxy-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2-sulfophenyl]-3-sulfophenyl]hydrazinylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid is not a drug-like molecule.
MolName(4Z)-4-[[4-[4-[(2Z)-2-(3-carboxy-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2-sulfophenyl]-3-sulfophenyl]hydrazinylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
MolecularFormulaC32H22N8O12S2
SmilesOC(C(/C(/C1=O)=N/Nc(cc2)cc(S(O)(=O)=O)c2-c(ccc(N/N=C(/C(C(O)=O)=NN2c3ccccc3)\C2=O)c2)c2S(O)(=O)=O)=NN1c1ccccc1)=O
InChIInChI=1S/C32H22N8O12S2/c41-29-25(27(31(43)44)37-39(29)19-7-3-1-4-8-19)35-33-17-11-13-21(23(15-17)53(47,48)49)22-14-12-18(16-24(22)54(50,51)52)34-36-26-28(32(45)46)38-40(30(26)42)20-9-5-2-6-10-20/h1-16,33-34H,(H,43,44)(H,45,46)(H,47,48,49)(H,50,51,52)
InChIKWVYUWCXLUCGZGP-UHFFFAOYSA-N
TotalMolweight774.703
Molweight774.703
MonoisotopicMass774.079862
CLogP1.7008
CLogS-2.44
H Acceptors20
H Donors6
TotalSurfaceArea514.5
Relative PSA0.46216
PolarSurfaceArea314.22
Druglikeness3.1148
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.48148
Fragments1
Non HAtoms54
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms30
AcidicOxygens4
StereoCon

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