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(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Formula:C34H25N9O7S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate is not a drug-like molecule.
MolName(6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
MolecularFormulaC34H25N9O7S2
SmilesNc(cc1)cc(N)c1/N=N/c(cc1)ccc1-c(cc1)ccc1/N=N/c(c(S([O-])(=O)=O)cc(C=C(/C1=N\Nc2ccccc2)S([O-])(=O)=O)c2C1=O)c2N
InChIInChI=1S/C34H27N9O7S2/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23/h1-18,39H,35-37H2,(H,45,46,47)(H,48,49,50)/p-2
InChIKKUYVDGGLSZZLCB-UHFFFAOYSA-L
TotalMolweight735.761
Molweight735.761
MonoisotopicMass735.131836
CLogP1.8383
CLogS-9.303
H Acceptors16
H Donors4
TotalSurfaceArea519.51
Relative PSA0.41112
PolarSurfaceArea300.12
Druglikeness-22.622
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions1,3-diamino-aryl; azo
Shape Index0.53846
Fragments1
Non HAtoms52
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms5
Symmetricatoms8
Amines3
Aromatic Amines3
AcidicOxygens2
StereoCon

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