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(6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Formula:C34H22N8O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate is not a drug-like molecule.
MolName(6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate
MolecularFormulaC34H22N8O10S2
SmilesNc(c(C(/C1=N/Nc(cc2)ccc2-c(cc2)ccc2NN=C(C=C2)C=CC2=O)=O)c(cc2S([O-])(=O)=O)C=C1S([O-])(=O)=O)c2/N=N/c(cc1)ccc1[N+]([O-])=O
InChIInChI=1S/C34H24N8O10S2/c35-31-30-21(17-28(53(47,48)49)32(31)40-38-24-9-13-26(14-10-24)42(45)46)18-29(54(50,51)52)33(34(30)44)41-39-23-7-3-20(4-8-23)19-1-5-22(6-2-19)36-37-25-11-15-27(43)16-12-25/h1-18,36,39H,35H2,(H,47,48,49)(H,50,51,52)/p-2
InChIKOAXRDLOJXKRTHC-UHFFFAOYSA-L
TotalMolweight766.727
Molweight766.727
MonoisotopicMass766.090032
CLogP1.7419
CLogS-7.71
H Acceptors18
H Donors3
TotalSurfaceArea535.04
Relative PSA0.42324
PolarSurfaceArea310.64
Druglikeness-34.501
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsaromatic nitro; azo
Shape Index0.55556
Fragments1
Non HAtoms54
NonCHAtoms20
Electronegative Atoms20
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms10
Amines1
Aromatic Amines1
AcidicOxygens3
StereoCon

Request More Details | (6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate


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