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(6Z)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]ethenyl]phenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid

Formula:C28H20N4O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]ethenyl]phenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid is not a drug-like molecule.
MolName(6Z)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]ethenyl]phenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid
MolecularFormulaC28H20N4O8
SmilesOC(C(/C(/C(O)=C1)=N/Nc2ccc(/C=C/c(cc3)ccc3N/N=C(/C(C(O)=O)=C3)\C(O)=CC3=O)cc2)=CC1=O)=O
InChIInChI=1S/C28H20N4O8/c33-19-11-21(27(37)38)25(23(35)13-19)31-29-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)30-32-26-22(28(39)40)12-20(34)14-24(26)36/h1-14,29-30,35-36H,(H,37,38)(H,39,40)
InChIKOGUNHLXCZAVVKT-UHFFFAOYSA-N
TotalMolweight540.487
Molweight540.487
MonoisotopicMass540.128116
CLogP4.5404
CLogS-3.994
H Acceptors12
H Donors6
TotalSurfaceArea396.62
Relative PSA0.37946
PolarSurfaceArea197.98
Druglikeness3.4757
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionstwice activated DB
Shape Index0.6
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms22
AcidicOxygens2
StereoCon

Request More Details | (6Z)-6-[[4-[(E)-2-[4-[(2Z)-2-(2-carboxy-6-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]ethenyl]phenyl]hydrazinylidene]-5-hydroxy-3-oxocyclohexa-1,4-diene-1-carboxylic acid


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