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(6Z)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Formula:C28H23N9O10S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(6Z)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid
MolecularFormulaC28H23N9O10S3
SmilesNc(cc1)cc(N)c1/N=N/c(cc1)ccc1/N=N/c(c(S(O)(=O)=O)cc(C=C(/C1=N\Nc(cc2)ccc2S(O)(=O)=O)S(O)(=O)=O)c2C1=O)c2N
InChIInChI=1S/C28H23N9O10S3/c29-15-1-10-21(20(30)13-15)35-32-16-2-4-17(5-3-16)33-36-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)31)37-34-18-6-8-19(9-7-18)48(39,40)41/h1-13,34H,29-31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKKYOSVKZESXFHQW-UHFFFAOYSA-N
TotalMolweight741.742
Molweight741.742
MonoisotopicMass741.073001
CLogP0.445
CLogS-5.823
H Acceptors19
H Donors7
TotalSurfaceArea492.32
Relative PSA0.51369
PolarSurfaceArea357.21
Druglikeness-15.177
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions1,3-diamino-aryl; azo
Shape Index0.52
Fragments1
Non HAtoms50
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms7
Amines3
Aromatic Amines3
AcidicOxygens3
StereoCon

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