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(6Z)-4-amino-5-oxo-3-[[4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid

Formula:C32H23N7O11S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-5-oxo-3-[[4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(6Z)-4-amino-5-oxo-3-[[4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]diazenyl]-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
MolecularFormulaC32H23N7O11S3
SmilesNc(c(C(/C1=N/Nc2ccccc2)=O)c(cc2S(O)(=O)=O)C=C1S(O)(=O)=O)c2/N=N/c(cc1)ccc1N/N=C(\c(cc1)c(C=C2)cc1S(O)(=O)=O)/C2=O
InChIInChI=1S/C32H23N7O11S3/c33-28-27-18(16-26(53(48,49)50)31(32(27)41)39-34-19-4-2-1-3-5-19)15-25(52(45,46)47)30(28)38-36-21-9-7-20(8-10-21)35-37-29-23-12-11-22(51(42,43)44)14-17(23)6-13-24(29)40/h1-16,34-35H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)
InChIKILGKQHZCMFSXBO-UHFFFAOYSA-N
TotalMolweight777.771
Molweight777.771
MonoisotopicMass777.061768
CLogP2.5792
CLogS-5.448
H Acceptors18
H Donors6
TotalSurfaceArea517.44
Relative PSA0.45484
PolarSurfaceArea321.91
Druglikeness-11.397
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.49057
Fragments1
Non HAtoms53
NonCHAtoms21
Electronegative Atoms21
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms7
Amines1
Aromatic Amines1
AcidicOxygens3
StereoCon

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