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4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid

Formula:C46H31N7O14S4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
MolecularFormulaC46H31N7O14S4
SmilesOc1c2c(/N=N/c(c3ccccc33)ccc3/N=N/c(c(c3c4)ccc4S(O)(=O)=O)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4ccc(Nc5ccccc5)c3)/C4=O)cc(S(O)(=O)=O)cc2cc(S(O)(=O)=O)c1
InChIInChI=1S/C46H31N7O14S4/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27/
InChIKNCUINGXJEFGRAW-UHFFFAOYSA-N
TotalMolweight1034.05
Molweight1034.05
MonoisotopicMass1033.08118
CLogP5.0155
CLogS-10.301
H Acceptors21
H Donors7
TotalSurfaceArea683.06
Relative PSA0.40016
PolarSurfaceArea374.16
Druglikeness-6.2768
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.4507
Fragments1
Non HAtoms71
NonCHAtoms25
Electronegative Atoms25
Rotatable Bond12
Rings Closures9
Small Rings9
Aromatic Rings8
Aromatic Atoms42
Sp3Atoms9
Symmetricatoms6
Amines1
Aromatic Amines1
AcidicOxygens4
StereoCon

Request More Details | 4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid


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