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(5Z)-6-oxo-5-[[4-[(E)-2-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Formula:C34H24N4O14S4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-6-oxo-5-[[4-[(E)-2-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]naphthalene-2-sulfonic acid is not a drug-like molecule.
MolName(5Z)-6-oxo-5-[[4-[(E)-2-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]hydrazinylidene]naphthalene-2-sulfonic acid
MolecularFormulaC34H24N4O14S4
SmilesOS(c(cc1)cc(C=CC2=O)c1/C2=N/Nc1cc(S(O)(=O)=O)c(/C=C/c(ccc(N/N=C(/c(cc2)c(C=C3)cc2S(O)(=O)=O)\C3=O)c2)c2S(O)(=O)=O)cc1)(=O)=O
InChIInChI=1S/C34H24N4O14S4/c39-29-13-5-21-15-25(53(41,42)43)9-11-27(21)33(29)37-35-23-7-3-19(31(17-23)55(47,48)49)1-2-20-4-8-24(18-32(20)56(50,51)52)36-38-34-28-12-10-26(54(44,45)46)16-22(28)6-14-30(34)40/h1-18,35-36H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50
InChIKIFMRLZDPTJCVIU-UHFFFAOYSA-N
TotalMolweight840.843
Molweight840.843
MonoisotopicMass840.017186
CLogP0.913
CLogS-2.714
H Acceptors18
H Donors6
TotalSurfaceArea549.12
Relative PSA0.43477
PolarSurfaceArea333.92
Druglikeness0.77694
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms56
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms30
AcidicOxygens4
StereoCon

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