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(6Z)-6-[[2-carboxy-4-[(E)-2-[3-carboxy-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:C30H20N4O12 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[[2-carboxy-4-[(E)-2-[3-carboxy-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-[[2-carboxy-4-[(E)-2-[3-carboxy-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
MolecularFormulaC30H20N4O12
SmilesOC(c(cc(/C=C/c(cc1)cc(C(O)=O)c1N/N=C(/C(C(O)=O)=C1)\C(O)=CC1=O)cc1)c1N/N=C(/C(C(O)=O)=C1)\C(O)=CC1=O)=O
InChIInChI=1S/C30H20N4O12/c35-15-9-19(29(43)44)25(23(37)11-15)33-31-21-5-3-13(7-17(21)27(39)40)1-2-14-4-6-22(18(8-14)28(41)42)32-34-26-20(30(45)46)10-16(36)12-24(26)38/h1-12,31-32,37-38H,(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIKPSVBAVIBVAQRDY-UHFFFAOYSA-N
TotalMolweight628.505
Molweight628.505
MonoisotopicMass628.107776
CLogP3.5106
CLogS-4.02
H Acceptors16
H Donors8
TotalSurfaceArea444.82
Relative PSA0.45587
PolarSurfaceArea272.58
Druglikeness3.4757
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionstwice activated DB
Shape Index0.52174
Fragments1
Non HAtoms46
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms23
AcidicOxygens4
StereoCon

Request More Details | (6Z)-6-[[2-carboxy-4-[(E)-2-[3-carboxy-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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