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(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid

Formula:C32H24N6O11S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC32H24N6O11S3
SmilesNc(cc1)cc(C(/C2=N/Nc(cc3)ccc3-c(cc3)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4c(N)cc(S(O)(=O)=O)c3)/C4=O)=O)c1C=C2S(O)(=O)=O
InChIInChI=1S/C32H24N6O11S3/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40/h1-15,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)
InChIKLISPIUVGAOUCLH-UHFFFAOYSA-N
TotalMolweight764.772
Molweight764.772
MonoisotopicMass764.066519
CLogP1.4779
CLogS-6.026
H Acceptors17
H Donors7
TotalSurfaceArea501.15
Relative PSA0.45416
PolarSurfaceArea323.21
Druglikeness-7.3977
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms52
NonCHAtoms20
Electronegative Atoms20
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms7
Amines2
Aromatic Amines2
AcidicOxygens3
StereoCon

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