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(3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid

Formula:C38H27N5O11S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-3-[[4-[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC38H27N5O11S3
SmilesOS(c(cc1)cc(C=C(/C2=N\Nc(cc3)ccc3-c(cc3)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4ccc(Nc5ccccc5)c3)/C4=O)S(O)(=O)=O)c1C2=O)(=O)=O
InChIInChI=1S/C38H27N5O11S3/c44-37-31-16-14-29(39-26-4-2-1-3-5-26)18-24(31)20-33(56(49,50)51)35(37)42-40-27-10-6-22(7-11-27)23-8-12-28(13-9-23)41-43-36-34(57(52,53)54)21-25-19-30(55(46,47)48)15-17-32(25)38(36)45/h1-21,39-41H,(H,46,47,48)(H,49,50,51)(H,52,53,54
InChIKXHNOBIZLLZUWDD-UHFFFAOYSA-N
TotalMolweight825.854
Molweight825.854
MonoisotopicMass825.08692
CLogP4.3629
CLogS-7.452
H Acceptors16
H Donors6
TotalSurfaceArea555.33
Relative PSA0.37549
PolarSurfaceArea283.2
Druglikeness-8.3876
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.54386
Fragments1
Non HAtoms57
NonCHAtoms19
Electronegative Atoms19
Rotatable Bond10
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms6
Symmetricatoms9
Amines1
Aromatic Amines1
AcidicOxygens3
StereoCon

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