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4-hydroxy-7-[(2Z)-2-[4-hydroxy-6-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]naphthalene-2-sulfonic acid

Formula:C28H20N6O9S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-hydroxy-7-[(2Z)-2-[4-hydroxy-6-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]naphthalene-2-sulfonic acid is not a drug-like molecule.
MolName4-hydroxy-7-[(2Z)-2-[4-hydroxy-6-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]naphthalene-2-sulfonic acid
MolecularFormulaC28H20N6O9S2
SmilesOc1cc(S(O)(=O)=O)cc2cc(N/N=C(/C=C(C(O)=C3)/N=N/c(cc4)ccc4/N=N/c(cc4)ccc4S(O)(=O)=O)\C3=O)ccc12
InChIInChI=1S/C28H20N6O9S2/c35-26-13-22(45(41,42)43)12-16-11-20(7-10-23(16)26)32-34-25-14-24(27(36)15-28(25)37)33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40/h1-15,32,35-36H,(H,38,39,40)(H,41,42,43)
InChIKVWHGTXUHCMNAQH-UHFFFAOYSA-N
TotalMolweight648.632
Molweight648.632
MonoisotopicMass648.073319
CLogP3.0875
CLogS-5.203
H Acceptors15
H Donors5
TotalSurfaceArea444.08
Relative PSA0.43148
PolarSurfaceArea256.86
Druglikeness-19.739
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.57778
Fragments1
Non HAtoms45
NonCHAtoms17
Electronegative Atoms17
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms6
Symmetricatoms6
AcidicOxygens2
StereoCon

Request More Details | 4-hydroxy-7-[(2Z)-2-[4-hydroxy-6-oxo-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]cyclohexa-2,4-dien-1-ylidene]hydrazinyl]naphthalene-2-sulfonic acid


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